(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide

C14H21ClN2O2 — CID 103928289

IUPAC(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C14H21ClN2O2/c1-8-6-10(11(19-5)7-9(8)15)17-13(18)12(16)14(2,3)4/h6-7,12H,16H2,1-5H3,(H,17,18)/t12-/m0/s1
InChIKeyFSASRYAVXWULTI-LBPRGKRZSA-N
MW284.79 g/mol
LogP2.97
Rot. Bonds3

About (2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 103928289) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
PubChem CID103928289
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C14H21ClN2O2/c1-8-6-10(11(19-5)7-9(8)15)17-13(18)12(16)14(2,3)4/h6-7,12H,16H2,1-5H3,(H,17,18)/t12-/m0/s1
InChIKeyFSASRYAVXWULTI-LBPRGKRZSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
CID 104683435
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide
CID 103928303
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide (CID 103928289) is (2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide is COc1cc(Cl)c(C)cc1NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is FSASRYAVXWULTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-8-6-10(11(19-5)7-9(8)15)17-13(18)12(16)14(2,3)4/h6-7,12H,16H2,1-5H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 284.79 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103928289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).