2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide

C18H27N3O — CID 87013152

IUPAC2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
SMILESCCCN(CC(=O)N(CC)CC(C)C#N)Cc1ccccc1
InChIInChI=1S/C18H27N3O/c1-4-11-20(14-17-9-7-6-8-10-17)15-18(22)21(5-2)13-16(3)12-19/h6-10,16H,4-5,11,13-15H2,1-3H3
InChIKeyYZJZTZOPJINNBG-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.91
Rot. Bonds9

About 2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide

2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide (PubChem CID 87013152) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
PubChem CID87013152
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
SMILESCCCN(CC(=O)N(CC)CC(C)C#N)Cc1ccccc1
InChIInChI=1S/C18H27N3O/c1-4-11-20(14-17-9-7-6-8-10-17)15-18(22)21(5-2)13-16(3)12-19/h6-10,16H,4-5,11,13-15H2,1-3H3
InChIKeyYZJZTZOPJINNBG-UHFFFAOYSA-N
XLogP2.91
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 87014013
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide
CID 52747596
(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
CID 60585362
2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
CID 54979575
2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
CID 114926862
3-[2-aminoethyl(benzyl)amino]-2-methylpropanenitrile
CID 106511629
N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 51092598
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
CID 61225285
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 106511560

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide?
The IUPAC name of 2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide (CID 87013152) is 2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide.
What is the SMILES notation for 2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide?
The canonical SMILES for 2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide is CCCN(CC(=O)N(CC)CC(C)C#N)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide?
The InChIKey is YZJZTZOPJINNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-11-20(14-17-9-7-6-8-10-17)15-18(22)21(5-2)13-16(3)12-19/h6-10,16H,4-5,11,13-15H2,1-3H3.
What are the key properties of 2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide?
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide has a molecular weight of 301.43 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide is sourced from PubChem (CID 87013152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).