2-amino-N-(3-propan-2-ylphenyl)pentanamide

C14H22N2O — CID 43650216

IUPAC2-amino-N-(3-propan-2-ylphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-4-6-13(15)14(17)16-12-8-5-7-11(9-12)10(2)3/h5,7-10,13H,4,6,15H2,1-3H3,(H,16,17)
InChIKeyFTKTTZUPLHJLJO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds5

About 2-amino-N-(3-propan-2-ylphenyl)pentanamide

2-amino-N-(3-propan-2-ylphenyl)pentanamide (PubChem CID 43650216) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-N-(3-propan-2-ylphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3-propan-2-ylphenyl)pentanamide
PubChem CID43650216
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-N-(3-propan-2-ylphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-4-6-13(15)14(17)16-12-8-5-7-11(9-12)10(2)3/h5,7-10,13H,4,6,15H2,1-3H3,(H,16,17)
InChIKeyFTKTTZUPLHJLJO-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119269841
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
CID 103794052
2-amino-N-(3-nitrophenyl)pentanamide
CID 113223757
(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119686872

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-propan-2-ylphenyl)pentanamide?
The IUPAC name of 2-amino-N-(3-propan-2-ylphenyl)pentanamide (CID 43650216) is 2-amino-N-(3-propan-2-ylphenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(3-propan-2-ylphenyl)pentanamide?
The canonical SMILES for 2-amino-N-(3-propan-2-ylphenyl)pentanamide is CCCC(N)C(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of 2-amino-N-(3-propan-2-ylphenyl)pentanamide?
The InChIKey is FTKTTZUPLHJLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-13(15)14(17)16-12-8-5-7-11(9-12)10(2)3/h5,7-10,13H,4,6,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(3-propan-2-ylphenyl)pentanamide?
2-amino-N-(3-propan-2-ylphenyl)pentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-propan-2-ylphenyl)pentanamide is sourced from PubChem (CID 43650216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).