2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide

C13H26N2O2 — CID 55091669

IUPAC2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide
SMILESCOCCC(N)C(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-10-4-6-11(7-5-10)15(2)13(16)12(14)8-9-17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyFZFUOYMRBUIBRM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide

2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide (PubChem CID 55091669) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide
PubChem CID55091669
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide
SMILESCOCCC(N)C(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-10-4-6-11(7-5-10)15(2)13(16)12(14)8-9-17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyFZFUOYMRBUIBRM-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopentyl-5-methoxy-N-methylpentanamide
CID 81081449
2-amino-N-(4-ethylcyclohexyl)-5-methoxy-N-methylpentanamide
CID 81088714
2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 81082304
2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid
CID 62473237
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
2-amino-N-cycloheptyl-3-methoxy-N-methylpropanamide
CID 81083505
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
2-amino-N-cyclopropyl-N-(2-methoxyethyl)pentanamide
CID 60947244
2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide
CID 81088861
2-amino-3-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 81082211
(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
2-amino-N-(cyclopentylmethyl)-4-methoxy-N-methylbutanamide
CID 63654910

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide (CID 55091669) is 2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide is COCCC(N)C(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of 2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide?
The InChIKey is FZFUOYMRBUIBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10-4-6-11(7-5-10)15(2)13(16)12(14)8-9-17-3/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide?
2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide is sourced from PubChem (CID 55091669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).