N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide

C16H23N3O — CID 52747596

IUPACN-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1ccccc1)C[C@@H](C)C#N
InChIInChI=1S/C16H23N3O/c1-4-19(11-14(2)10-17)13-16(20)18(3)12-15-8-6-5-7-9-15/h5-9,14H,4,11-13H2,1-3H3/t14-/m0/s1
InChIKeyLWRNJOTYBYTAJO-AWEZNQCLSA-N
MW273.38 g/mol
LogP2.13
Rot. Bonds7

About N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide

N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide (PubChem CID 52747596) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide
PubChem CID52747596
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1ccccc1)C[C@@H](C)C#N
InChIInChI=1S/C16H23N3O/c1-4-19(11-14(2)10-17)13-16(20)18(3)12-15-8-6-5-7-9-15/h5-9,14H,4,11-13H2,1-3H3/t14-/m0/s1
InChIKeyLWRNJOTYBYTAJO-AWEZNQCLSA-N
XLogP2.13
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 61450794
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448
2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
CID 60585362
N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 87014013
2-[benzyl(ethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908379
4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
CID 51967572
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
CID 61225285
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
3-[2-aminoethyl(benzyl)amino]-2-methylpropanenitrile
CID 106511629
N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148459

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide (CID 52747596) is N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide is CCN(CC(=O)N(C)Cc1ccccc1)C[C@@H](C)C#N.
What is the InChIKey of N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide?
The InChIKey is LWRNJOTYBYTAJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19(11-14(2)10-17)13-16(20)18(3)12-15-8-6-5-7-9-15/h5-9,14H,4,11-13H2,1-3H3/t14-/m0/s1.
What are the key properties of N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide?
N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide has a molecular weight of 273.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 52747596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).