4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide

C18H22N2O2 — CID 119274895

IUPAC4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCN)cc1Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-22-17-10-9-16(20-18(21)8-5-11-19)13-15(17)12-14-6-3-2-4-7-14/h2-4,6-7,9-10,13H,5,8,11-12,19H2,1H3,(H,20,21)
InChIKeyNCXHNLNTXCBKFJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.96
Rot. Bonds7

About 4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide

4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide (PubChem CID 119274895) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
PubChem CID119274895
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCN)cc1Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-22-17-10-9-16(20-18(21)8-5-11-19)13-15(17)12-14-6-3-2-4-7-14/h2-4,6-7,9-10,13H,5,8,11-12,19H2,1H3,(H,20,21)
InChIKeyNCXHNLNTXCBKFJ-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
2-[4-[2-(3-benzyl-4-methoxyanilino)-2-oxoethoxy]phenyl]acetamide
CID 48673523
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 36591038
N-(3-benzyl-4-methoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 27038879
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
CID 17443833
N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18270721
1-benzyl-3-(3-benzyl-4-methoxyphenyl)thiourea
CID 154799805

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide?
The IUPAC name of 4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide (CID 119274895) is 4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide?
The canonical SMILES for 4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide is COc1ccc(NC(=O)CCCN)cc1Cc1ccccc1.
What is the InChIKey of 4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide?
The InChIKey is NCXHNLNTXCBKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-17-10-9-16(20-18(21)8-5-11-19)13-15(17)12-14-6-3-2-4-7-14/h2-4,6-7,9-10,13H,5,8,11-12,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide?
4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide has a molecular weight of 298.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide is sourced from PubChem (CID 119274895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).