(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide

C14H17N3O2 — CID 92749514

IUPAC(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(NC(=O)C[C@H](C)n2ccnc2)c1
InChIInChI=1S/C14H17N3O2/c1-11(17-7-6-15-10-17)8-14(18)16-12-4-3-5-13(9-12)19-2/h3-7,9-11H,8H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNDLSLKUTVJFVBR-NSHDSACASA-N
MW259.31 g/mol
LogP2.48
Rot. Bonds5

About (3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide

(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide (PubChem CID 92749514) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide
PubChem CID92749514
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(NC(=O)C[C@H](C)n2ccnc2)c1
InChIInChI=1S/C14H17N3O2/c1-11(17-7-6-15-10-17)8-14(18)16-12-4-3-5-13(9-12)19-2/h3-7,9-11H,8H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNDLSLKUTVJFVBR-NSHDSACASA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708150
3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 46340049
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazol-1-ylbutanamide
CID 46340042
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide
CID 46340029
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide
CID 91841839
5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955570
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733

Frequently Asked Questions

What is the IUPAC name of (3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide?
The IUPAC name of (3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide (CID 92749514) is (3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide.
What is the SMILES notation for (3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide?
The canonical SMILES for (3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide is COc1cccc(NC(=O)C[C@H](C)n2ccnc2)c1.
What is the InChIKey of (3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide?
The InChIKey is NDLSLKUTVJFVBR-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(17-7-6-15-10-17)8-14(18)16-12-4-3-5-13(9-12)19-2/h3-7,9-11H,8H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide?
(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 92749514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).