N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide

C21H28N2O — CID 108998910

IUPACN-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-22(15-19-11-7-5-8-12-19)17-21(24)23(18(2)3)16-20-13-9-6-10-14-20/h5-14,18H,4,15-17H2,1-3H3
InChIKeyZQENOGUHUKAAHE-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.95
Rot. Bonds8

About N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide

N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide (PubChem CID 108998910) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
PubChem CID108998910
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-22(15-19-11-7-5-8-12-19)17-21(24)23(18(2)3)16-20-13-9-6-10-14-20/h5-14,18H,4,15-17H2,1-3H3
InChIKeyZQENOGUHUKAAHE-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(ethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908379
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154114
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8541330
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide (CID 108998910) is N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide is CCN(CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is ZQENOGUHUKAAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-22(15-19-11-7-5-8-12-19)17-21(24)23(18(2)3)16-20-13-9-6-10-14-20/h5-14,18H,4,15-17H2,1-3H3.
What are the key properties of N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide?
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 324.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 108998910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).