N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide

C16H30N2O2 — CID 118440950

IUPACN-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide
SMILESCCCC(=O)NC1CC(C)(C)CC(C)(CNC(C)=O)C1
InChIInChI=1S/C16H30N2O2/c1-6-7-14(20)18-13-8-15(3,4)10-16(5,9-13)11-17-12(2)19/h13H,6-11H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyHQBNSTVYPPEPON-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.62
Rot. Bonds5

About N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide

N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide (PubChem CID 118440950) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide.

Molecular Properties

Compound NameN-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide
PubChem CID118440950
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide
SMILESCCCC(=O)NC1CC(C)(C)CC(C)(CNC(C)=O)C1
InChIInChI=1S/C16H30N2O2/c1-6-7-14(20)18-13-8-15(3,4)10-16(5,9-13)11-17-12(2)19/h13H,6-11H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyHQBNSTVYPPEPON-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide
CID 144769247
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide
CID 6959109
3-cyclohexyl-N-[[(1R,5R)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide
CID 6959107
3-cyclohexyl-N-[[5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide
CID 4266172
3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 107034267
3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708
2-butoxyethyl N-[3-[(2-butoxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 67181830
1-hexyl-3-[3-[(hexylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 102304499
2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
CID 1014515
2,2,2-trichloro-N-[[1,3,3-trimethyl-5-[(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]acetamide
CID 3710532

Frequently Asked Questions

What is the IUPAC name of N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide?
The IUPAC name of N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide (CID 118440950) is N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide.
What is the SMILES notation for N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide?
The canonical SMILES for N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide is CCCC(=O)NC1CC(C)(C)CC(C)(CNC(C)=O)C1.
What is the InChIKey of N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide?
The InChIKey is HQBNSTVYPPEPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-7-14(20)18-13-8-15(3,4)10-16(5,9-13)11-17-12(2)19/h13H,6-11H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide?
N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide has a molecular weight of 282.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide is sourced from PubChem (CID 118440950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).