(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide

C15H24N2O2 — CID 22691065

IUPAC(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)9-14(16)15(18)17-12-5-7-13(8-6-12)19-11(3)4/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)/t14-/m0/s1
InChIKeySKBRPMHACDLOMR-AWEZNQCLSA-N
MW264.37 g/mol
LogP2.79
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide

(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide (PubChem CID 22691065) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
PubChem CID22691065
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)9-14(16)15(18)17-12-5-7-13(8-6-12)19-11(3)4/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)/t14-/m0/s1
InChIKeySKBRPMHACDLOMR-AWEZNQCLSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
2-amino-4-methyl-N-(4-propoxyphenyl)pentanamide
CID 62329193
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 43123167
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
CID 119844261
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide (CID 22691065) is (2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide?
The InChIKey is SKBRPMHACDLOMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)9-14(16)15(18)17-12-5-7-13(8-6-12)19-11(3)4/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide?
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide is sourced from PubChem (CID 22691065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).