N-benzyl-2-(4-methoxyphenyl)propanamide

C17H19NO2 — CID 102432443

IUPACN-benzyl-2-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-13(15-8-10-16(20-2)11-9-15)17(19)18-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyQCRXZSMSLNVSJP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.12
Rot. Bonds5

About N-benzyl-2-(4-methoxyphenyl)propanamide

N-benzyl-2-(4-methoxyphenyl)propanamide (PubChem CID 102432443) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenyl)propanamide
PubChem CID102432443
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-benzyl-2-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-13(15-8-10-16(20-2)11-9-15)17(19)18-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyQCRXZSMSLNVSJP-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-naphthalen-2-ylpropanamide
CID 102432446
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 894490
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952277
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
CID 38273727
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506948
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenyl)propanamide?
The IUPAC name of N-benzyl-2-(4-methoxyphenyl)propanamide (CID 102432443) is N-benzyl-2-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-benzyl-2-(4-methoxyphenyl)propanamide is COc1ccc(C(C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenyl)propanamide?
The InChIKey is QCRXZSMSLNVSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(15-8-10-16(20-2)11-9-15)17(19)18-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,18,19).
What are the key properties of N-benzyl-2-(4-methoxyphenyl)propanamide?
N-benzyl-2-(4-methoxyphenyl)propanamide has a molecular weight of 269.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 102432443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).