(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide

C14H21ClN2O2 — CID 103292466

IUPAC(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C14H21ClN2O2/c1-4-9(2)13(16)14(18)17-8-10-11(15)6-5-7-12(10)19-3/h5-7,9,13H,4,8,16H2,1-3H3,(H,17,18)/t9?,13-/m0/s1
InChIKeyGVROCGXCOUYEIK-NCWAPJAISA-N
MW284.79 g/mol
LogP2.34
Rot. Bonds6

About (2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide

(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide (PubChem CID 103292466) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
PubChem CID103292466
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C14H21ClN2O2/c1-4-9(2)13(16)14(18)17-8-10-11(15)6-5-7-12(10)19-3/h5-7,9,13H,4,8,16H2,1-3H3,(H,17,18)/t9?,13-/m0/s1
InChIKeyGVROCGXCOUYEIK-NCWAPJAISA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292496
(2R)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-2-phenylacetamide
CID 103292472
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide
CID 103292415
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide
CID 103292338
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide (CID 103292466) is (2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCc1c(Cl)cccc1OC.
What is the InChIKey of (2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide?
The InChIKey is GVROCGXCOUYEIK-NCWAPJAISA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-9(2)13(16)14(18)17-8-10-11(15)6-5-7-12(10)19-3/h5-7,9,13H,4,8,16H2,1-3H3,(H,17,18)/t9?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide?
(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide has a molecular weight of 284.79 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 103292466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).