benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate

C38H56N4O7 — CID 170659557

IUPACbenzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate
SMILESCC(C)CCN(CC(=O)N(CC(=O)N(CC=O)CCc1ccc(O)cc1)CC(C)C)C(=O)CN(CCC(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C38H56N4O7/c1-29(2)16-19-40(36(46)26-41(20-17-30(3)4)38(48)49-28-33-10-8-7-9-11-33)25-37(47)42(24-31(5)6)27-35(45)39(22-23-43)21-18-32-12-14-34(44)15-13-32/h7-15,23,29-31,44H,16-22,24-28H2,1-6H3
InChIKeyGOCGPPPMNKVYIF-UHFFFAOYSA-N
MW680.89 g/mol
LogP5.01
Rot. Bonds21

About benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate

benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate (PubChem CID 170659557) has the molecular formula C38H56N4O7 and a molecular weight of 680.89 g/mol. Its IUPAC name is benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate
PubChem CID170659557
Molecular FormulaC38H56N4O7
Molecular Weight680.89 g/mol
Exact Mass680.41
IUPAC Namebenzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate
SMILESCC(C)CCN(CC(=O)N(CC(=O)N(CC=O)CCc1ccc(O)cc1)CC(C)C)C(=O)CN(CCC(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C38H56N4O7/c1-29(2)16-19-40(36(46)26-41(20-17-30(3)4)38(48)49-28-33-10-8-7-9-11-33)25-37(47)42(24-31(5)6)27-35(45)39(22-23-43)21-18-32-12-14-34(44)15-13-32/h7-15,23,29-31,44H,16-22,24-28H2,1-6H3
InChIKeyGOCGPPPMNKVYIF-UHFFFAOYSA-N
XLogP5.01
TPSA127.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.89
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate with MolForge

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Related Compounds

N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide
CID 166867175
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(3-methylbutylamino)acetamide
CID 59980076
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
CID 59224555
benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
CID 59224565
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 22855125
benzyl N-[3-(benzylamino)-2-hydroxypropyl]-N-(2-methylpropyl)carbamate;hydrochloride
CID 173088993
tert-butyl 4-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-phenylmethoxycarbonylamino]ethyl]benzoate
CID 90281999

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate?
The IUPAC name of benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate (CID 170659557) is benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate.
What is the SMILES notation for benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate?
The canonical SMILES for benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate is CC(C)CCN(CC(=O)N(CC(=O)N(CC=O)CCc1ccc(O)cc1)CC(C)C)C(=O)CN(CCC(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate?
The InChIKey is GOCGPPPMNKVYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56N4O7/c1-29(2)16-19-40(36(46)26-41(20-17-30(3)4)38(48)49-28-33-10-8-7-9-11-33)25-37(47)42(24-31(5)6)27-35(45)39(22-23-43)21-18-32-12-14-34(44)15-13-32/h7-15,23,29-31,44H,16-22,24-28H2,1-6H3.
What are the key properties of benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate?
benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate has a molecular weight of 680.89 g/mol, XLogP of 5.01, 21 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate is sourced from PubChem (CID 170659557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).