N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide

C13H25N3O2 — CID 144769247

IUPACN-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1(C)CC(NC(N)=O)CC(C)(C)C1
InChIInChI=1S/C13H25N3O2/c1-9(17)15-8-13(4)6-10(16-11(14)18)5-12(2,3)7-13/h10H,5-8H2,1-4H3,(H,15,17)(H3,14,16,18)
InChIKeyHZVCFLJLDIBTNM-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.38
Rot. Bonds3

About N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide

N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide (PubChem CID 144769247) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide
PubChem CID144769247
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1(C)CC(NC(N)=O)CC(C)(C)C1
InChIInChI=1S/C13H25N3O2/c1-9(17)15-8-13(4)6-10(16-11(14)18)5-12(2,3)7-13/h10H,5-8H2,1-4H3,(H,15,17)(H3,14,16,18)
InChIKeyHZVCFLJLDIBTNM-UHFFFAOYSA-N
XLogP1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide
CID 118440950
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
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
2,2,2-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
1-cyclooctyl-3-[(1S,3R)-3-[(cyclooctylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 27210531
methyl N-[[5-[2-(methoxycarbonylamino)ethoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 118911971
N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine
CID 166668421
3-(dimethylamino)propyl N-[3-[[3-(dimethylamino)propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 156847292
2-[[3-[(ethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 122658963
[3-[(dodecoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamic acid
CID 154014296

Frequently Asked Questions

What is the IUPAC name of N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide?
The IUPAC name of N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide (CID 144769247) is N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide is CC(=O)NCC1(C)CC(NC(N)=O)CC(C)(C)C1.
What is the InChIKey of N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide?
The InChIKey is HZVCFLJLDIBTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(17)15-8-13(4)6-10(16-11(14)18)5-12(2,3)7-13/h10H,5-8H2,1-4H3,(H,15,17)(H3,14,16,18).
What are the key properties of N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide?
N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide has a molecular weight of 255.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide is sourced from PubChem (CID 144769247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).