2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide

C20H27N3O — CID 27133835

IUPAC2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H27N3O/c1-4-23(5-2)19-13-11-18(12-14-19)21-20(24)16-22(3)15-17-9-7-6-8-10-17/h6-14H,4-5,15-16H2,1-3H3,(H,21,24)
InChIKeyYOSMWPJEKYUDQW-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.60
Rot. Bonds8

About 2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide

2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 27133835) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
PubChem CID27133835
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H27N3O/c1-4-23(5-2)19-13-11-18(12-14-19)21-20(24)16-22(3)15-17-9-7-6-8-10-17/h6-14H,4-5,15-16H2,1-3H3,(H,21,24)
InChIKeyYOSMWPJEKYUDQW-UHFFFAOYSA-N
XLogP3.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54811380
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54809010
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide
CID 54808952
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 8900913
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide (CID 27133835) is 2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)CN(C)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is YOSMWPJEKYUDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-23(5-2)19-13-11-18(12-14-19)21-20(24)16-22(3)15-17-9-7-6-8-10-17/h6-14H,4-5,15-16H2,1-3H3,(H,21,24).
What are the key properties of 2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide?
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 27133835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).