5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide

C38H48N4O6 — CID 10100838

IUPAC5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide
SMILESCC(=O)N(CCCCC(=O)N(CCCCC(=O)N(CCCCC#N)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C38H48N4O6/c1-33(43)40(46-30-34-18-6-2-7-19-34)27-16-12-24-38(45)42(48-32-36-22-10-4-11-23-36)29-17-13-25-37(44)41(28-15-5-14-26-39)47-31-35-20-8-3-9-21-35/h2-4,6-11,18-23H,5,12-17,24-25,27-32H2,1H3
InChIKeySBSARTSBVZLDAS-UHFFFAOYSA-N
MW656.82 g/mol
LogP6.92
Rot. Bonds23

About 5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide

5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide (PubChem CID 10100838) has the molecular formula C38H48N4O6 and a molecular weight of 656.82 g/mol. Its IUPAC name is 5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide.

Molecular Properties

Compound Name5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide
PubChem CID10100838
Molecular FormulaC38H48N4O6
Molecular Weight656.82 g/mol
Exact Mass656.36
IUPAC Name5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide
SMILESCC(=O)N(CCCCC(=O)N(CCCCC(=O)N(CCCCC#N)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C38H48N4O6/c1-33(43)40(46-30-34-18-6-2-7-19-34)27-16-12-24-38(45)42(48-32-36-22-10-4-11-23-36)29-17-13-25-37(44)41(28-15-5-14-26-39)47-31-35-20-8-3-9-21-35/h2-4,6-11,18-23H,5,12-17,24-25,27-32H2,1H3
InChIKeySBSARTSBVZLDAS-UHFFFAOYSA-N
XLogP6.92
TPSA112.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.82
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
3-[11-(dimethylamino)undecanoyl-phenylmethoxyamino]propanoic acid
CID 151814442
N-(3-oxopropyl)-N-phenylmethoxyacetamide
CID 71545702
N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide
CID 43911774
benzyl N-[5-[[4-[5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-phenylmethoxyamino]pentyl]carbamate
CID 118391839
6-oxo-9-phenylnonanenitrile
CID 12034522
7-[benzyl(methyl)amino]heptanenitrile
CID 10680989
1,1-dimethyl-3-octyl-3-phenylmethoxyurea
CID 14227207
tert-butyl N-[4-[(2-cyanoacetyl)amino]butyl]-N-phenylmethoxycarbamate
CID 126841229
N-hydroxy-N-phenylmethoxyacetamide
CID 173249339
N-phenylmethoxyacetohydrazide
CID 174450270
benzyl 3-cyanopropanoate
CID 14568318

Frequently Asked Questions

What is the IUPAC name of 5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide?
The IUPAC name of 5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide (CID 10100838) is 5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide.
What is the SMILES notation for 5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide?
The canonical SMILES for 5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide is CC(=O)N(CCCCC(=O)N(CCCCC(=O)N(CCCCC#N)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide?
The InChIKey is SBSARTSBVZLDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N4O6/c1-33(43)40(46-30-34-18-6-2-7-19-34)27-16-12-24-38(45)42(48-32-36-22-10-4-11-23-36)29-17-13-25-37(44)41(28-15-5-14-26-39)47-31-35-20-8-3-9-21-35/h2-4,6-11,18-23H,5,12-17,24-25,27-32H2,1H3.
What are the key properties of 5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide?
5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide has a molecular weight of 656.82 g/mol, XLogP of 6.92, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide is sourced from PubChem (CID 10100838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).