N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide

C16H25FN2O — CID 119569913

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide
SMILESCCC(CC)(CN)NC(=O)CC(C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-4-16(5-2,11-18)19-15(20)9-12(3)13-7-6-8-14(17)10-13/h6-8,10,12H,4-5,9,11,18H2,1-3H3,(H,19,20)
InChIKeyDBINGMSSGVFDPM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.95
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide

N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide (PubChem CID 119569913) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide
PubChem CID119569913
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide
SMILESCCC(CC)(CN)NC(=O)CC(C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-4-16(5-2,11-18)19-15(20)9-12(3)13-7-6-8-14(17)10-13/h6-8,10,12H,4-5,9,11,18H2,1-3H3,(H,19,20)
InChIKeyDBINGMSSGVFDPM-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119571655
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
(2S)-2-[[(3R)-3-(3-fluorophenyl)butanoyl]amino]-3-methylbutanoic acid
CID 97323884
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
4-[3-(3-fluorophenyl)butanoylamino]-4-phenylbutanoic acid
CID 119200963
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 60674328
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 86960755

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide (CID 119569913) is N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide is CCC(CC)(CN)NC(=O)CC(C)c1cccc(F)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide?
The InChIKey is DBINGMSSGVFDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-16(5-2,11-18)19-15(20)9-12(3)13-7-6-8-14(17)10-13/h6-8,10,12H,4-5,9,11,18H2,1-3H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide has a molecular weight of 280.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide is sourced from PubChem (CID 119569913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).