2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C21H28N2O2 — CID 18131526

IUPAC2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C21H28N2O2/c1-17(2)23(15-18-9-5-4-6-10-18)16-21(24)22-14-13-19-11-7-8-12-20(19)25-3/h4-12,17H,13-16H2,1-3H3,(H,22,24)
InChIKeyCCCDCXCAKIGESC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.26
Rot. Bonds9

About 2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 18131526) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID18131526
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C21H28N2O2/c1-17(2)23(15-18-9-5-4-6-10-18)16-21(24)22-14-13-19-11-7-8-12-20(19)25-3/h4-12,17H,13-16H2,1-3H3,(H,22,24)
InChIKeyCCCDCXCAKIGESC-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113165813
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100801
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
CID 55437170
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024669
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 112993457
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 18131526) is 2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CN(Cc1ccccc1)C(C)C.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is CCCDCXCAKIGESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17(2)23(15-18-9-5-4-6-10-18)16-21(24)22-14-13-19-11-7-8-12-20(19)25-3/h4-12,17H,13-16H2,1-3H3,(H,22,24).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 18131526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).