tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate

C24H29NO4 — CID 102091617

IUPACtert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate
SMILESCOc1ccc(N(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)[C@@H]2CCC(=O)C2)cc1
InChIInChI=1S/C24H29NO4/c1-24(2,3)29-23(27)25(19-11-14-21(28-4)15-12-19)22(17-8-6-5-7-9-17)18-10-13-20(26)16-18/h5-9,11-12,14-15,18,22H,10,13,16H2,1-4H3/t18-,22+/m1/s1
InChIKeyCNPJZDSNSOESLI-GCJKJVERSA-N
MW395.50 g/mol
LogP5.55
Rot. Bonds5

About tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate

tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate (PubChem CID 102091617) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate
PubChem CID102091617
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Nametert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate
SMILESCOc1ccc(N(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)[C@@H]2CCC(=O)C2)cc1
InChIInChI=1S/C24H29NO4/c1-24(2,3)29-23(27)25(19-11-14-21(28-4)15-12-19)22(17-8-6-5-7-9-17)18-10-13-20(26)16-18/h5-9,11-12,14-15,18,22H,10,13,16H2,1-4H3/t18-,22+/m1/s1
InChIKeyCNPJZDSNSOESLI-GCJKJVERSA-N
XLogP5.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate
CID 10737969
tert-butyl N-[(1R)-2-hydroxy-4-methyl-1-phenylpent-3-enyl]-N-(4-methoxyphenyl)carbamate
CID 135021424
tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-[(4S)-2-oxooxan-4-yl]-3-phenylprop-1-enyl]carbamate
CID 102091619
tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate
CID 102422210
tert-butyl N-(4-methoxyphenyl)-N-[(Z,3S)-3-[(2R,3R)-2-methyl-5-oxooxolan-3-yl]-3-phenylprop-1-enyl]carbamate
CID 134917783
diethyl 2-[(S)-[(1S,2Z)-2-[[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]methylidene]cyclopentyl]-phenylmethyl]propanedioate
CID 11786171
tert-butyl N-[(R)-deuterio(phenyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]carbamate
CID 136864069
tert-butyl N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[(1R)-1-phenylbut-3-enyl]carbamate
CID 101155768
tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate
CID 102422207
tert-butyl N-[(E,3S,4S)-5,5-dicyano-4-methyl-3,4-diphenylpent-1-enyl]-N-(4-methoxyphenyl)carbamate
CID 101268594
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid
CID 18352705
tert-butyl N-[cyclopropyl-(4-formylphenyl)methyl]-N-methylcarbamate
CID 164531539

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate?
The IUPAC name of tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate (CID 102091617) is tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate?
The canonical SMILES for tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate is COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)[C@@H]2CCC(=O)C2)cc1.
What is the InChIKey of tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate?
The InChIKey is CNPJZDSNSOESLI-GCJKJVERSA-N. The full InChI is InChI=1S/C24H29NO4/c1-24(2,3)29-23(27)25(19-11-14-21(28-4)15-12-19)22(17-8-6-5-7-9-17)18-10-13-20(26)16-18/h5-9,11-12,14-15,18,22H,10,13,16H2,1-4H3/t18-,22+/m1/s1.
What are the key properties of tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate?
tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate has a molecular weight of 395.50 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate is sourced from PubChem (CID 102091617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).