4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide

C17H27N3O2 — CID 120597455

IUPAC4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccccc1N(C)C1CCCC1
InChIInChI=1S/C17H27N3O2/c1-20(13-7-3-4-8-13)16-10-6-5-9-15(16)19-17(21)11-14(12-18)22-2/h5-6,9-10,13-14H,3-4,7-8,11-12,18H2,1-2H3,(H,19,21)
InChIKeyPKPAYUVHIUMRCM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.37
Rot. Bonds7

About 4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide

4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide (PubChem CID 120597455) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
PubChem CID120597455
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccccc1N(C)C1CCCC1
InChIInChI=1S/C17H27N3O2/c1-20(13-7-3-4-8-13)16-10-6-5-9-15(16)19-17(21)11-14(12-18)22-2/h5-6,9-10,13-14H,3-4,7-8,11-12,18H2,1-2H3,(H,19,21)
InChIKeyPKPAYUVHIUMRCM-UHFFFAOYSA-N
XLogP2.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]butanamide
CID 119899319
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119899295
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride
CID 119899288
2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]pentanamide
CID 119899281
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 120589876
4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide
CID 120596280
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015008
4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid
CID 122086913
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide (CID 120597455) is 4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1ccccc1N(C)C1CCCC1.
What is the InChIKey of 4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide?
The InChIKey is PKPAYUVHIUMRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20(13-7-3-4-8-13)16-10-6-5-9-15(16)19-17(21)11-14(12-18)22-2/h5-6,9-10,13-14H,3-4,7-8,11-12,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide?
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide has a molecular weight of 305.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120597455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).