(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide

C16H25ClN2O — CID 119773059

IUPAC(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(C)(C)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-11(2)9-14(18)15(20)19-10-16(3,4)12-7-5-6-8-13(12)17/h5-8,11,14H,9-10,18H2,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeyKDLFTXSCYDFNQY-AWEZNQCLSA-N
MW296.84 g/mol
LogP3.11
Rot. Bonds6

About (2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide (PubChem CID 119773059) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide
PubChem CID119773059
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(C)(C)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-11(2)9-14(18)15(20)19-10-16(3,4)12-7-5-6-8-13(12)17/h5-8,11,14H,9-10,18H2,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeyKDLFTXSCYDFNQY-AWEZNQCLSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119773046
(2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide
CID 95280366
3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide
CID 120610426
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943
1-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(2-chlorophenyl)methyl]urea
CID 58917814
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119773024
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 130299690

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide (CID 119773059) is (2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCC(C)(C)c1ccccc1Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide?
The InChIKey is KDLFTXSCYDFNQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11(2)9-14(18)15(20)19-10-16(3,4)12-7-5-6-8-13(12)17/h5-8,11,14H,9-10,18H2,1-4H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide has a molecular weight of 296.84 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide is sourced from PubChem (CID 119773059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).