2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide

C19H21NO3 — CID 141033411

IUPAC2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
SMILESCOc1cccc(C(=O)C(Cc2ccccc2)C(=O)N(C)C)c1
InChIInChI=1S/C19H21NO3/c1-20(2)19(22)17(12-14-8-5-4-6-9-14)18(21)15-10-7-11-16(13-15)23-3/h4-11,13,17H,12H2,1-3H3
InChIKeyJBPWAUDFWVHMJD-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.83
Rot. Bonds6

About 2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide

2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide (PubChem CID 141033411) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide.

Molecular Properties

Compound Name2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
PubChem CID141033411
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
SMILESCOc1cccc(C(=O)C(Cc2ccccc2)C(=O)N(C)C)c1
InChIInChI=1S/C19H21NO3/c1-20(2)19(22)17(12-14-8-5-4-6-9-14)18(21)15-10-7-11-16(13-15)23-3/h4-11,13,17H,12H2,1-3H3
InChIKeyJBPWAUDFWVHMJD-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
CID 125143767
2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide
CID 82115986
2-[[1-(3-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 112513433
2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 82185120
(2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one
CID 11781998
(E,2S)-2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpent-3-en-1-amine;hydrochloride
CID 70008456
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
CID 139919860
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide?
The IUPAC name of 2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide (CID 141033411) is 2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide.
What is the SMILES notation for 2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide?
The canonical SMILES for 2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide is COc1cccc(C(=O)C(Cc2ccccc2)C(=O)N(C)C)c1.
What is the InChIKey of 2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide?
The InChIKey is JBPWAUDFWVHMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20(2)19(22)17(12-14-8-5-4-6-9-14)18(21)15-10-7-11-16(13-15)23-3/h4-11,13,17H,12H2,1-3H3.
What are the key properties of 2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide?
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide has a molecular weight of 311.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide is sourced from PubChem (CID 141033411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).