ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate

C17H26N2O4 — CID 38929569

IUPACethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](CNC(=O)c1ccccc1OC)CC(C)C
InChIInChI=1S/C17H26N2O4/c1-5-23-17(21)19-13(10-12(2)3)11-18-16(20)14-8-6-7-9-15(14)22-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyGBXZOVSULCFRSW-ZDUSSCGKSA-N
MW322.41 g/mol
LogP2.59
Rot. Bonds8

About ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate

ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate (PubChem CID 38929569) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
PubChem CID38929569
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nameethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](CNC(=O)c1ccccc1OC)CC(C)C
InChIInChI=1S/C17H26N2O4/c1-5-23-17(21)19-13(10-12(2)3)11-18-16(20)14-8-6-7-9-15(14)22-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyGBXZOVSULCFRSW-ZDUSSCGKSA-N
XLogP2.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
ethyl N-[4-methyl-1-[(2-nitrobenzoyl)amino]pentan-2-yl]carbamate
CID 46432668
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[1-[(2-chloro-4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959646
ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
CID 55654735
ethyl N-[4-methyl-1-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pentan-2-yl]carbamate
CID 46483038
N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113272537
ethyl N-[4-methyl-1-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]pentan-2-yl]carbamate
CID 55654849
ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 55934184
ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
CID 55654736
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate (CID 38929569) is ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)N[C@H](CNC(=O)c1ccccc1OC)CC(C)C.
What is the InChIKey of ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is GBXZOVSULCFRSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-23-17(21)19-13(10-12(2)3)11-18-16(20)14-8-6-7-9-15(14)22-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 38929569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).