2-(pentan-2-ylamino)-N-phenylpropanamide

C14H22N2O — CID 43083650

IUPAC2-(pentan-2-ylamino)-N-phenylpropanamide
SMILESCCCC(C)NC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-8-11(2)15-12(3)14(17)16-13-9-6-5-7-10-13/h5-7,9-12,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyWZDGORRZEPNNIP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.79
Rot. Bonds6

About 2-(pentan-2-ylamino)-N-phenylpropanamide

2-(pentan-2-ylamino)-N-phenylpropanamide (PubChem CID 43083650) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(pentan-2-ylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(pentan-2-ylamino)-N-phenylpropanamide
PubChem CID43083650
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(pentan-2-ylamino)-N-phenylpropanamide
SMILESCCCC(C)NC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-8-11(2)15-12(3)14(17)16-13-9-6-5-7-10-13/h5-7,9-12,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyWZDGORRZEPNNIP-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
2-methyl-N-phenylpentanamide
CID 4627801
2-(2-hydroxypentylamino)-N-phenylpropanamide
CID 113495789
2-bromo-N-phenylpentanamide
CID 56980184
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
CID 79248901
2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
CID 113457786
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
2-(octylamino)-N-phenylpropanamide
CID 78914372
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445

Frequently Asked Questions

What is the IUPAC name of 2-(pentan-2-ylamino)-N-phenylpropanamide?
The IUPAC name of 2-(pentan-2-ylamino)-N-phenylpropanamide (CID 43083650) is 2-(pentan-2-ylamino)-N-phenylpropanamide.
What is the SMILES notation for 2-(pentan-2-ylamino)-N-phenylpropanamide?
The canonical SMILES for 2-(pentan-2-ylamino)-N-phenylpropanamide is CCCC(C)NC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(pentan-2-ylamino)-N-phenylpropanamide?
The InChIKey is WZDGORRZEPNNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-8-11(2)15-12(3)14(17)16-13-9-6-5-7-10-13/h5-7,9-12,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-(pentan-2-ylamino)-N-phenylpropanamide?
2-(pentan-2-ylamino)-N-phenylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-2-ylamino)-N-phenylpropanamide is sourced from PubChem (CID 43083650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).