2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide

C14H21N3O2 — CID 113160473

IUPAC2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-12(18)17(10-9-16(2)3)11-14(19)15-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,15,19)
InChIKeyPNCQYQZJHICCOI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.04
Rot. Bonds6

About 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide (PubChem CID 113160473) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
PubChem CID113160473
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-12(18)17(10-9-16(2)3)11-14(19)15-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,15,19)
InChIKeyPNCQYQZJHICCOI-UHFFFAOYSA-N
XLogP1.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113160544
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
CID 113160547
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113160562
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide
CID 113160577
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide
CID 113160867
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113160407
N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
CID 113165901
methyl 4-[[2-[acetyl-[3-(dimethylamino)propyl]amino]acetyl]amino]benzoate
CID 113160912
2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425180
2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide
CID 113165914

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide (CID 113160473) is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide is CC(=O)N(CCN(C)C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide?
The InChIKey is PNCQYQZJHICCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12(18)17(10-9-16(2)3)11-14(19)15-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,15,19).
What are the key properties of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide?
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide is sourced from PubChem (CID 113160473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).