4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide

C20H23N3O — CID 51967572

IUPAC4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
SMILESCCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H](C)C#N
InChIInChI=1S/C20H23N3O/c1-3-23(14-16(2)13-21)15-17-9-11-18(12-10-17)20(24)22-19-7-5-4-6-8-19/h4-12,16H,3,14-15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyQVEXEEHBEQVFLK-INIZCTEOSA-N
MW321.42 g/mol
LogP3.92
Rot. Bonds7

About 4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide

4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide (PubChem CID 51967572) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
PubChem CID51967572
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
SMILESCCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H](C)C#N
InChIInChI=1S/C20H23N3O/c1-3-23(14-16(2)13-21)15-17-9-11-18(12-10-17)20(24)22-19-7-5-4-6-8-19/h4-12,16H,3,14-15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyQVEXEEHBEQVFLK-INIZCTEOSA-N
XLogP3.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide
CID 55779074
2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide
CID 54988244
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
4-(diethylaminomethyl)-N-(3-ethynylphenyl)benzamide
CID 46426668
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
CID 8692819
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909345
2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide
CID 168520957

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide (CID 51967572) is 4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide is CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H](C)C#N.
What is the InChIKey of 4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide?
The InChIKey is QVEXEEHBEQVFLK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-23(14-16(2)13-21)15-17-9-11-18(12-10-17)20(24)22-19-7-5-4-6-8-19/h4-12,16H,3,14-15H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide?
4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide has a molecular weight of 321.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 51967572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).