N-[4-(aminomethyl)phenyl]-2-cyanopropanamide

C11H13N3O — CID 82506537

IUPACN-[4-(aminomethyl)phenyl]-2-cyanopropanamide
SMILESCC(C#N)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C11H13N3O/c1-8(6-12)11(15)14-10-4-2-9(7-13)3-5-10/h2-5,8H,7,13H2,1H3,(H,14,15)
InChIKeyCXWJKBMXVUHRJM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.24
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2-cyanopropanamide

N-[4-(aminomethyl)phenyl]-2-cyanopropanamide (PubChem CID 82506537) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-cyanopropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-cyanopropanamide
PubChem CID82506537
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-[4-(aminomethyl)phenyl]-2-cyanopropanamide
SMILESCC(C#N)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C11H13N3O/c1-8(6-12)11(15)14-10-4-2-9(7-13)3-5-10/h2-5,8H,7,13H2,1H3,(H,14,15)
InChIKeyCXWJKBMXVUHRJM-UHFFFAOYSA-N
XLogP1.24
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide
CID 60725469
2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide
CID 115188500
N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82003922
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)propanamide
CID 107767477
N-[4-(aminomethyl)phenyl]-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43575674
N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425557
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
CID 107767414
2-cyano-N-(4-ethylphenyl)-4-methyl-3-oxohexanamide
CID 47275770
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103487081
ethyl 2-[[4-(aminomethyl)phenyl]carbamoyl]-4-methylpentanoate;hydrochloride
CID 174057394
N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide
CID 107767176

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-cyanopropanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-cyanopropanamide (CID 82506537) is N-[4-(aminomethyl)phenyl]-2-cyanopropanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-cyanopropanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-cyanopropanamide is CC(C#N)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-cyanopropanamide?
The InChIKey is CXWJKBMXVUHRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(6-12)11(15)14-10-4-2-9(7-13)3-5-10/h2-5,8H,7,13H2,1H3,(H,14,15).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-cyanopropanamide?
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide has a molecular weight of 203.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-cyanopropanamide is sourced from PubChem (CID 82506537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).