N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide

C15H21N3O3 — CID 64824304

IUPACN-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCCC2N)ccc1NC(C)=O
InChIInChI=1S/C15H21N3O3/c1-9(19)17-13-7-6-10(8-14(13)21-2)18-15(20)11-4-3-5-12(11)16/h6-8,11-12H,3-5,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCYQIKUUPOFFVAC-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.72
Rot. Bonds4

About N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide

N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide (PubChem CID 64824304) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
PubChem CID64824304
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCCC2N)ccc1NC(C)=O
InChIInChI=1S/C15H21N3O3/c1-9(19)17-13-7-6-10(8-14(13)21-2)18-15(20)11-4-3-5-12(11)16/h6-8,11-12H,3-5,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCYQIKUUPOFFVAC-UHFFFAOYSA-N
XLogP1.72
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824915
2-amino-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119688371
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 79458739
methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671361
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide
CID 64825039

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide (CID 64824304) is N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide is COc1cc(NC(=O)C2CCCC2N)ccc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide?
The InChIKey is CYQIKUUPOFFVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(19)17-13-7-6-10(8-14(13)21-2)18-15(20)11-4-3-5-12(11)16/h6-8,11-12H,3-5,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide?
N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide is sourced from PubChem (CID 64824304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).