2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide

C14H23N3O — CID 81494005

IUPAC2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(C)CCCN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-3-17(13-8-5-4-6-9-13)14(18)12-16(2)11-7-10-15/h4-6,8-9H,3,7,10-12,15H2,1-2H3
InChIKeySPUZEMUOOYDNRR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.32
Rot. Bonds7

About 2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide

2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide (PubChem CID 81494005) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
PubChem CID81494005
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(C)CCCN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-3-17(13-8-5-4-6-9-13)14(18)12-16(2)11-7-10-15/h4-6,8-9H,3,7,10-12,15H2,1-2H3
InChIKeySPUZEMUOOYDNRR-UHFFFAOYSA-N
XLogP1.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide
CID 107203711
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
CID 104517075
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
N-cyclopropyl-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8908925
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
2-(2-aminoethylsulfonyl)-N-ethyl-N-phenylacetamide
CID 82179979
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide (CID 81494005) is 2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide is CCN(C(=O)CN(C)CCCN)c1ccccc1.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide?
The InChIKey is SPUZEMUOOYDNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-17(13-8-5-4-6-9-13)14(18)12-16(2)11-7-10-15/h4-6,8-9H,3,7,10-12,15H2,1-2H3.
What are the key properties of 2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide?
2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide has a molecular weight of 249.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 81494005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).