4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide

C15H29NO2 — CID 58394583

IUPAC4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide
SMILESCOCCCC(=O)N(C)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-12(2)13-7-9-14(10-8-13)16(3)15(17)6-5-11-18-4/h12-14H,5-11H2,1-4H3
InChIKeyNHWJDPHNUHFMHC-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.09
Rot. Bonds6

About 4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide

4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide (PubChem CID 58394583) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide
PubChem CID58394583
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide
SMILESCOCCCC(=O)N(C)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-12(2)13-7-9-14(10-8-13)16(3)15(17)6-5-11-18-4/h12-14H,5-11H2,1-4H3
InChIKeyNHWJDPHNUHFMHC-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(azepan-4-yl)-4-methoxy-N-methylbutanamide
CID 104974697
N-cyclopropyl-4-hydroxy-N-methylbutanamide
CID 79203211
N-cyclohexyl-4-methoxy-N-(2-methylpropyl)butanamide
CID 145047882
5-chloro-N-cyclopropyl-N-methylpentanamide
CID 43264877
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
CID 79543922
N-cyclopropyl-N-methyl-4-(methylamino)butanamide
CID 60842400
N-cyclopropyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79203731
4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide
CID 51102733
N-(2-methoxyethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide
CID 58394849
N-cyclohexyl-2-(3-methoxypropylamino)-N-methylacetamide
CID 54829340
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
3-[cyclopropyl(4-propan-2-yloxybutanoyl)amino]-2-methylpropanoic acid
CID 120689469

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide?
The IUPAC name of 4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide (CID 58394583) is 4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide is COCCCC(=O)N(C)C1CCC(C(C)C)CC1.
What is the InChIKey of 4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide?
The InChIKey is NHWJDPHNUHFMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)13-7-9-14(10-8-13)16(3)15(17)6-5-11-18-4/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide?
4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide has a molecular weight of 255.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide is sourced from PubChem (CID 58394583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).