2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide

C15H22ClNO2 — CID 70010696

IUPAC2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide
SMILESCCc1cccc(C)c1NC(=O)C(Cl)C(C)COC
InChIInChI=1S/C15H22ClNO2/c1-5-12-8-6-7-10(2)14(12)17-15(18)13(16)11(3)9-19-4/h6-8,11,13H,5,9H2,1-4H3,(H,17,18)
InChIKeyPQOUTOPULOFUGV-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.39
Rot. Bonds6

About 2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide

2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide (PubChem CID 70010696) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide
PubChem CID70010696
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide
SMILESCCc1cccc(C)c1NC(=O)C(Cl)C(C)COC
InChIInChI=1S/C15H22ClNO2/c1-5-12-8-6-7-10(2)14(12)17-15(18)13(16)11(3)9-19-4/h6-8,11,13H,5,9H2,1-4H3,(H,17,18)
InChIKeyPQOUTOPULOFUGV-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903869
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
5-(2-ethyl-6-methylanilino)-4-methyl-5-oxopentanoic acid
CID 112517138
(2R)-N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 2576276
N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 4877561
(2S,3S)-2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099909
2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide
CID 67892291
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-2-phenylacetamide
CID 61148140
2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 82027609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide?
The IUPAC name of 2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide (CID 70010696) is 2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide is CCc1cccc(C)c1NC(=O)C(Cl)C(C)COC.
What is the InChIKey of 2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide?
The InChIKey is PQOUTOPULOFUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-5-12-8-6-7-10(2)14(12)17-15(18)13(16)11(3)9-19-4/h6-8,11,13H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide?
2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide has a molecular weight of 283.80 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 70010696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).