4-methoxy-3-(4-phenylbutanoylamino)benzamide

C18H20N2O3 — CID 166190408

IUPAC4-methoxy-3-(4-phenylbutanoylamino)benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-23-16-11-10-14(18(19)22)12-15(16)20-17(21)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H2,19,22)(H,20,21)
InChIKeyDXLFYWLDMPSBQK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.76
Rot. Bonds7

About 4-methoxy-3-(4-phenylbutanoylamino)benzamide

4-methoxy-3-(4-phenylbutanoylamino)benzamide (PubChem CID 166190408) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-methoxy-3-(4-phenylbutanoylamino)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(4-phenylbutanoylamino)benzamide
PubChem CID166190408
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-methoxy-3-(4-phenylbutanoylamino)benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-23-16-11-10-14(18(19)22)12-15(16)20-17(21)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H2,19,22)(H,20,21)
InChIKeyDXLFYWLDMPSBQK-UHFFFAOYSA-N
XLogP2.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 51090288
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
3-(7-aminoheptanoylamino)-4-methoxybenzoic acid
CID 63743950
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide
CID 164852021
N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 6490974
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide
CID 147906172
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide
CID 55964273

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-phenylbutanoylamino)benzamide?
The IUPAC name of 4-methoxy-3-(4-phenylbutanoylamino)benzamide (CID 166190408) is 4-methoxy-3-(4-phenylbutanoylamino)benzamide.
What is the SMILES notation for 4-methoxy-3-(4-phenylbutanoylamino)benzamide?
The canonical SMILES for 4-methoxy-3-(4-phenylbutanoylamino)benzamide is COc1ccc(C(N)=O)cc1NC(=O)CCCc1ccccc1.
What is the InChIKey of 4-methoxy-3-(4-phenylbutanoylamino)benzamide?
The InChIKey is DXLFYWLDMPSBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-16-11-10-14(18(19)22)12-15(16)20-17(21)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 4-methoxy-3-(4-phenylbutanoylamino)benzamide?
4-methoxy-3-(4-phenylbutanoylamino)benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-phenylbutanoylamino)benzamide is sourced from PubChem (CID 166190408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).