4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide

C21H28N2O2 — CID 120562136

IUPAC4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(CCN(Cc2ccccc2)C(=O)CCC(C)N)cc1
InChIInChI=1S/C21H28N2O2/c1-17(22)8-13-21(24)23(16-19-6-4-3-5-7-19)15-14-18-9-11-20(25-2)12-10-18/h3-7,9-12,17H,8,13-16,22H2,1-2H3
InChIKeyBPKRZEQIKGBRSV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.39
Rot. Bonds9

About 4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide

4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide (PubChem CID 120562136) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
PubChem CID120562136
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(CCN(Cc2ccccc2)C(=O)CCC(C)N)cc1
InChIInChI=1S/C21H28N2O2/c1-17(22)8-13-21(24)23(16-19-6-4-3-5-7-19)15-14-18-9-11-20(25-2)12-10-18/h3-7,9-12,17H,8,13-16,22H2,1-2H3
InChIKeyBPKRZEQIKGBRSV-UHFFFAOYSA-N
XLogP3.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113121500
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872740
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
CID 120565080
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of 4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide (CID 120562136) is 4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide is COc1ccc(CCN(Cc2ccccc2)C(=O)CCC(C)N)cc1.
What is the InChIKey of 4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide?
The InChIKey is BPKRZEQIKGBRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17(22)8-13-21(24)23(16-19-6-4-3-5-7-19)15-14-18-9-11-20(25-2)12-10-18/h3-7,9-12,17H,8,13-16,22H2,1-2H3.
What are the key properties of 4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide?
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide has a molecular weight of 340.47 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 120562136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).