N-(2-methoxybenzyl)-3-phenylbutanamide

C18H21NO2 — CID 2914849

IUPACN-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC1=CC=CC=C1OC)C2=CC=CC=C2
InChIInChI=1S/C18H21NO2/c1-14(15-8-4-3-5-9-15)12-18(20)19-13-16-10-6-7-11-17(16)21-2/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyDPAUKNOBGJKDOA-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.20
Rot. Bonds6

About N-(2-methoxybenzyl)-3-phenylbutanamide

N-(2-methoxybenzyl)-3-phenylbutanamide (PubChem CID 2914849) has the molecular formula C18H21NO2 and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2-methoxybenzyl)-3-phenylbutanamide
PubChem CID2914849
Molecular FormulaC18H21NO2
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC1=CC=CC=C1OC)C2=CC=CC=C2
InChIInChI=1S/C18H21NO2/c1-14(15-8-4-3-5-9-15)12-18(20)19-13-16-10-6-7-11-17(16)21-2/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyDPAUKNOBGJKDOA-UHFFFAOYSA-N
XLogP3.20
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity312

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxybenzyl)-3-phenylbutanamide?
The IUPAC name of N-(2-methoxybenzyl)-3-phenylbutanamide (CID 2914849) is N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide.
What is the SMILES notation for N-(2-methoxybenzyl)-3-phenylbutanamide?
The canonical SMILES for N-(2-methoxybenzyl)-3-phenylbutanamide is CC(CC(=O)NCC1=CC=CC=C1OC)C2=CC=CC=C2.
What is the InChIKey of N-(2-methoxybenzyl)-3-phenylbutanamide?
The InChIKey is DPAUKNOBGJKDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(15-8-4-3-5-9-15)12-18(20)19-13-16-10-6-7-11-17(16)21-2/h3-11,14H,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methoxybenzyl)-3-phenylbutanamide?
N-(2-methoxybenzyl)-3-phenylbutanamide has a molecular weight of 283.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxybenzyl)-3-phenylbutanamide is sourced from PubChem (CID 2914849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).