tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate

C24H35N3O5 — CID 18016318

IUPACtert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate
SMILESC=CCN(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)NC1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C24H35N3O5/c1-5-15-27(20(29)16-25-23(31)32-24(2,3)4)21(17-11-13-19(28)14-12-17)22(30)26-18-9-7-6-8-10-18/h5,11-14,18,21,28H,1,6-10,15-16H2,2-4H3,(H,25,31)(H,26,30)
InChIKeyVAGMAYNCCKWHPD-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.42
Rot. Bonds8

About tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate (PubChem CID 18016318) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate
PubChem CID18016318
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Nametert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate
SMILESC=CCN(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)NC1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C24H35N3O5/c1-5-15-27(20(29)16-25-23(31)32-24(2,3)4)21(17-11-13-19(28)14-12-17)22(30)26-18-9-7-6-8-10-18/h5,11-14,18,21,28H,1,6-10,15-16H2,2-4H3,(H,25,31)(H,26,30)
InChIKeyVAGMAYNCCKWHPD-UHFFFAOYSA-N
XLogP3.42
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-ethylamino]-2-oxoethyl]carbamate
CID 18015523
tert-butyl N-[2-[butyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18018568
tert-butyl N-[1-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-prop-2-enylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18039088
tert-butyl N-[2-[cyanomethyl-[2-(cyclohexylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18016018
tert-butyl N-[2-[cyanomethyl-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18016093
tert-butyl N-[2-[[2-(butylamino)-1-(4-methylphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate
CID 18016285
tert-butyl N-[2-[[2-(cyclohexylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015313
tert-butyl N-[2-[[2-(cyclohexylamino)-1-(3,5-dimethylphenyl)-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
CID 18016963
tert-butyl N-[2-[butyl-[2-(cyclohexylamino)-1-(3-ethenylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18018643
tert-butyl N-[2-[[2-(butylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate
CID 18016495
tert-butyl N-[2-[[2-(cyclohexylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-octylamino]-2-oxoethyl]carbamate
CID 18020728
tert-butyl N-[1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-1-oxo-3-sulfanylpropan-2-yl]carbamate
CID 18056128

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate (CID 18016318) is tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate is C=CCN(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)NC1CCCCC1)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate?
The InChIKey is VAGMAYNCCKWHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-5-15-27(20(29)16-25-23(31)32-24(2,3)4)21(17-11-13-19(28)14-12-17)22(30)26-18-9-7-6-8-10-18/h5,11-14,18,21,28H,1,6-10,15-16H2,2-4H3,(H,25,31)(H,26,30).
What are the key properties of tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate has a molecular weight of 445.56 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 18016318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).