N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide

C19H21N3O2 — CID 110880289

IUPACN-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide
SMILESCC(Nc1cccc(CO)c1)C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-15(21-17-8-5-7-16(13-17)14-23)19(24)22(12-6-11-20)18-9-3-2-4-10-18/h2-5,7-10,13,15,21,23H,6,12,14H2,1H3
InChIKeyUDVMOAWWYYYKEF-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.93
Rot. Bonds7

About N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide

N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide (PubChem CID 110880289) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide
PubChem CID110880289
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide
SMILESCC(Nc1cccc(CO)c1)C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-15(21-17-8-5-7-16(13-17)14-23)19(24)22(12-6-11-20)18-9-3-2-4-10-18/h2-5,7-10,13,15,21,23H,6,12,14H2,1H3
InChIKeyUDVMOAWWYYYKEF-UHFFFAOYSA-N
XLogP2.93
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-(3,5-dimethylanilino)-N-phenylpropanamide
CID 78820379
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
(2R)-2-[[2-cyanoethyl(phenyl)carbamoyl]amino]propanoic acid
CID 54991352
2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 62504093
4-[[[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 55445469
2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide
CID 43245519
(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 9299409
[(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2,2,2-trifluoroacetate
CID 99799797
(2R)-N-(2-cyanoethyl)-N-methyl-2-(3-propoxyanilino)propanamide
CID 96531118
2-[3-[(dimethylamino)methyl]anilino]propanoic acid
CID 66173910
2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide
CID 65225792
N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881384

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide (CID 110880289) is N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide is CC(Nc1cccc(CO)c1)C(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide?
The InChIKey is UDVMOAWWYYYKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(21-17-8-5-7-16(13-17)14-23)19(24)22(12-6-11-20)18-9-3-2-4-10-18/h2-5,7-10,13,15,21,23H,6,12,14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide?
N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[3-(hydroxymethyl)anilino]-N-phenylpropanamide is sourced from PubChem (CID 110880289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).