N-[(4,4-dimethylcyclohexyl)methyl]propanamide

C12H23NO — CID 130164605

IUPACN-[(4,4-dimethylcyclohexyl)methyl]propanamide
SMILESCCC(=O)NCC1CCC(C)(C)CC1
InChIInChI=1S/C12H23NO/c1-4-11(14)13-9-10-5-7-12(2,3)8-6-10/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyCJMMNWYCJKHRED-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.73
Rot. Bonds3

About N-[(4,4-dimethylcyclohexyl)methyl]propanamide

N-[(4,4-dimethylcyclohexyl)methyl]propanamide (PubChem CID 130164605) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)methyl]propanamide
PubChem CID130164605
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(4,4-dimethylcyclohexyl)methyl]propanamide
SMILESCCC(=O)NCC1CCC(C)(C)CC1
InChIInChI=1S/C12H23NO/c1-4-11(14)13-9-10-5-7-12(2,3)8-6-10/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyCJMMNWYCJKHRED-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,3-difluorocyclopentyl)methyl]propanamide
CID 131084528
N-[(1-iodopiperidin-4-yl)methyl]propanamide
CID 146581381
N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide
CID 7183073
N-(cyclopropylmethyl)-2-[(1-methylcyclopentyl)methylamino]acetamide
CID 63821683
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 63007436
N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide
CID 123304596
1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 131913752
N-[(1,1-dioxothian-3-yl)methyl]propanamide
CID 138722362
N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride
CID 130596221
1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 127671510
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
CID 108922132

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)methyl]propanamide?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)methyl]propanamide (CID 130164605) is N-[(4,4-dimethylcyclohexyl)methyl]propanamide.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)methyl]propanamide?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)methyl]propanamide is CCC(=O)NCC1CCC(C)(C)CC1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)methyl]propanamide?
The InChIKey is CJMMNWYCJKHRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-11(14)13-9-10-5-7-12(2,3)8-6-10/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-[(4,4-dimethylcyclohexyl)methyl]propanamide?
N-[(4,4-dimethylcyclohexyl)methyl]propanamide has a molecular weight of 197.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 130164605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).