2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide

C14H21FN2O2 — CID 119730114

IUPAC2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-4-9(2)13(16)14(18)17-8-10-5-6-12(19-3)11(15)7-10/h5-7,9,13H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyWBABXDHQHJPKEF-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.82
Rot. Bonds6

About 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide

2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide (PubChem CID 119730114) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
PubChem CID119730114
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-4-9(2)13(16)14(18)17-8-10-5-6-12(19-3)11(15)7-10/h5-7,9,13H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyWBABXDHQHJPKEF-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119690822
2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
CID 119716020
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
CID 119690656
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158215
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide (CID 119730114) is 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCc1ccc(OC)c(F)c1.
What is the InChIKey of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide?
The InChIKey is WBABXDHQHJPKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-9(2)13(16)14(18)17-8-10-5-6-12(19-3)11(15)7-10/h5-7,9,13H,4,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide?
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide has a molecular weight of 268.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 119730114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).