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

C17H25FN2O2 — CID 120589394

IUPAC4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C17H25FN2O2/c1-22-15(11-19)10-16(21)20-17(12-4-2-3-5-12)13-6-8-14(18)9-7-13/h6-9,12,15,17H,2-5,10-11,19H2,1H3,(H,20,21)
InChIKeyXDIPMCPARJBTAU-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.54
Rot. Bonds7

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

4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide (PubChem CID 120589394) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
PubChem CID120589394
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C17H25FN2O2/c1-22-15(11-19)10-16(21)20-17(12-4-2-3-5-12)13-6-8-14(18)9-7-13/h6-9,12,15,17H,2-5,10-11,19H2,1H3,(H,20,21)
InChIKeyXDIPMCPARJBTAU-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593746
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
(3S)-3-acetamido-N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951548
(3S)-3-acetamido-N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951550
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119951249
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061
4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide
CID 120591337

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide (CID 120589394) is 4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide is COC(CN)CC(=O)NC(c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide?
The InChIKey is XDIPMCPARJBTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-22-15(11-19)10-16(21)20-17(12-4-2-3-5-12)13-6-8-14(18)9-7-13/h6-9,12,15,17H,2-5,10-11,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide?
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide has a molecular weight of 308.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide is sourced from PubChem (CID 120589394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).