3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide

C17H17N3O — CID 43709065

IUPAC3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
SMILESN#CCc1ccc(NC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c18-11-10-13-6-8-15(9-7-13)20-17(21)12-16(19)14-4-2-1-3-5-14/h1-9,16H,10,12,19H2,(H,20,21)
InChIKeyPSUNVAHDQZWGIW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.78
Rot. Bonds5

About 3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide

3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide (PubChem CID 43709065) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
PubChem CID43709065
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
SMILESN#CCc1ccc(NC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c18-11-10-13-6-8-15(9-7-13)20-17(21)12-16(19)14-4-2-1-3-5-14/h1-9,16H,10,12,19H2,(H,20,21)
InChIKeyPSUNVAHDQZWGIW-UHFFFAOYSA-N
XLogP2.78
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 9259796
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 119949748
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 9031907
N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide
CID 104916745
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8938898
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
N-[4-(cyanomethyl)phenyl]-3-phenylsulfanylpropanamide
CID 1279971
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide (CID 43709065) is 3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide is N#CCc1ccc(NC(=O)CC(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide?
The InChIKey is PSUNVAHDQZWGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-11-10-13-6-8-15(9-7-13)20-17(21)12-16(19)14-4-2-1-3-5-14/h1-9,16H,10,12,19H2,(H,20,21).
What are the key properties of 3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide?
3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 43709065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).