3,5-dimethoxy-N-(2-phenylpropyl)benzamide

C18H21NO3 — CID 42890141

IUPAC3,5-dimethoxy-N-(2-phenylpropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(C)c2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-13(14-7-5-4-6-8-14)12-19-18(20)15-9-16(21-2)11-17(10-15)22-3/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyQDJZRCALBXUMCH-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.24
Rot. Bonds6

About 3,5-dimethoxy-N-(2-phenylpropyl)benzamide

3,5-dimethoxy-N-(2-phenylpropyl)benzamide (PubChem CID 42890141) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2-phenylpropyl)benzamide
PubChem CID42890141
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3,5-dimethoxy-N-(2-phenylpropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(C)c2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-13(14-7-5-4-6-8-14)12-19-18(20)15-9-16(21-2)11-17(10-15)22-3/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyQDJZRCALBXUMCH-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide
CID 102377978
3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702465
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide
CID 56765275
3-methoxy-N-[2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111342317
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(2-phenylpropyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(2-phenylpropyl)benzamide (CID 42890141) is 3,5-dimethoxy-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2-phenylpropyl)benzamide is COc1cc(OC)cc(C(=O)NCC(C)c2ccccc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(2-phenylpropyl)benzamide?
The InChIKey is QDJZRCALBXUMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(14-7-5-4-6-8-14)12-19-18(20)15-9-16(21-2)11-17(10-15)22-3/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of 3,5-dimethoxy-N-(2-phenylpropyl)benzamide?
3,5-dimethoxy-N-(2-phenylpropyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 42890141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).