N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide

C20H28N2O3 — CID 95283923

IUPACN-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(C2(C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2)ccc1C
InChIInChI=1S/C20H28N2O3/c1-13-8-9-15(12-17(13)25-3)20(10-11-20)19(24)21-14(2)18(23)22-16-6-4-5-7-16/h8-9,12,14,16H,4-7,10-11H2,1-3H3,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyIZCLPVBQYJTLHN-AWEZNQCLSA-N
MW344.46 g/mol
LogP2.60
Rot. Bonds6

About N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide

N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 95283923) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID95283923
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(C2(C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2)ccc1C
InChIInChI=1S/C20H28N2O3/c1-13-8-9-15(12-17(13)25-3)20(10-11-20)19(24)21-14(2)18(23)22-16-6-4-5-7-16/h8-9,12,14,16H,4-7,10-11H2,1-3H3,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyIZCLPVBQYJTLHN-AWEZNQCLSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95342006
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95334427
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
1-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120828561
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120598802
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120598801
N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 119496437
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 110438036

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide (CID 95283923) is N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide is COc1cc(C2(C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2)ccc1C.
What is the InChIKey of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is IZCLPVBQYJTLHN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13-8-9-15(12-17(13)25-3)20(10-11-20)19(24)21-14(2)18(23)22-16-6-4-5-7-16/h8-9,12,14,16H,4-7,10-11H2,1-3H3,(H,21,24)(H,22,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95283923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).