2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide

C13H17N3O — CID 62489019

IUPAC2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
SMILESCC(CC#N)NC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C13H17N3O/c1-10(8-9-14)16-12(17)13(2,15)11-6-4-3-5-7-11/h3-7,10H,8,15H2,1-2H3,(H,16,17)
InChIKeyDBKDYKRHYPSSNE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide

2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide (PubChem CID 62489019) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
PubChem CID62489019
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
SMILESCC(CC#N)NC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C13H17N3O/c1-10(8-9-14)16-12(17)13(2,15)11-6-4-3-5-7-11/h3-7,10H,8,15H2,1-2H3,(H,16,17)
InChIKeyDBKDYKRHYPSSNE-UHFFFAOYSA-N
XLogP1.28
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
2-amino-N-hexan-2-yl-2-phenylpropanamide
CID 62489354
2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide
CID 64642432
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120592271
2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylpropanamide
CID 120589583
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916
2-amino-2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 120589300

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide (CID 62489019) is 2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide is CC(CC#N)NC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide?
The InChIKey is DBKDYKRHYPSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(8-9-14)16-12(17)13(2,15)11-6-4-3-5-7-11/h3-7,10H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide?
2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 62489019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).