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

C15H21N3O3 — CID 66030500

IUPACN-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCC(N)C2)ccc1NC(C)=O
InChIInChI=1S/C15H21N3O3/c1-9(19)17-13-6-5-12(8-14(13)21-2)18-15(20)10-3-4-11(16)7-10/h5-6,8,10-11H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPBCUAAHPHOOIHC-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.72
Rot. Bonds4

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

N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide (PubChem CID 66030500) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
PubChem CID66030500
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCC(N)C2)ccc1NC(C)=O
InChIInChI=1S/C15H21N3O3/c1-9(19)17-13-6-5-12(8-14(13)21-2)18-15(20)10-3-4-11(16)7-10/h5-6,8,10-11H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPBCUAAHPHOOIHC-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

3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848920
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824304
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide (CID 66030500) is N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide is COc1cc(NC(=O)C2CCC(N)C2)ccc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide?
The InChIKey is PBCUAAHPHOOIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(19)17-13-6-5-12(8-14(13)21-2)18-15(20)10-3-4-11(16)7-10/h5-6,8,10-11H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide?
N-(4-acetamido-3-methoxyphenyl)-3-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)-3-aminocyclopentane-1-carboxamide is sourced from PubChem (CID 66030500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).