[(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea

C11H22N4O2 — CID 40534520

IUPAC[(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea
SMILESCC1(C)C[C@@](C)(NC(N)=O)CC[C@@H]1NC(N)=O
InChIInChI=1S/C11H22N4O2/c1-10(2)6-11(3,15-9(13)17)5-4-7(10)14-8(12)16/h7H,4-6H2,1-3H3,(H3,12,14,16)(H3,13,15,17)/t7-,11-/m0/s1
InChIKeyNBARGYGCNYLHDC-CPCISQLKSA-N
MW242.32 g/mol
LogP0.66
Rot. Bonds2

About [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea

[(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea (PubChem CID 40534520) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea.

Molecular Properties

Compound Name[(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea
PubChem CID40534520
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name[(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea
SMILESCC1(C)C[C@@](C)(NC(N)=O)CC[C@@H]1NC(N)=O
InChIInChI=1S/C11H22N4O2/c1-10(2)6-11(3,15-9(13)17)5-4-7(10)14-8(12)16/h7H,4-6H2,1-3H3,(H3,12,14,16)(H3,13,15,17)/t7-,11-/m0/s1
InChIKeyNBARGYGCNYLHDC-CPCISQLKSA-N
XLogP0.66
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea with MolForge

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Related Compounds

2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
(4,4-dimethyloxolan-3-yl)urea
CID 130700520
(1,4-dimethylpiperidin-4-yl)urea
CID 90712934
2-[(2,2-dimethylcyclobutyl)amino]acetamide
CID 130554309
3-[(2,2-dimethylcyclobutyl)amino]-2,3-dioxopropanoic acid
CID 131134204
(2,2-difluorocyclohexyl)urea
CID 131126356
1-carbamothioyl-N-(2,2-dimethylcyclopentyl)cycloheptane-1-carboxamide
CID 79878078
3-(2,2-dimethylcyclopentyl)-1,1-dimethylurea
CID 115680560
N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide
CID 130556653
[(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea
CID 145237634
(3-methyloxan-3-yl)urea
CID 103895709
(2,2,3,3-tetramethylcyclopropyl)urea
CID 558568

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea?
The IUPAC name of [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea (CID 40534520) is [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea.
What is the SMILES notation for [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea?
The canonical SMILES for [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea is CC1(C)C[C@@](C)(NC(N)=O)CC[C@@H]1NC(N)=O.
What is the InChIKey of [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea?
The InChIKey is NBARGYGCNYLHDC-CPCISQLKSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-10(2)6-11(3,15-9(13)17)5-4-7(10)14-8(12)16/h7H,4-6H2,1-3H3,(H3,12,14,16)(H3,13,15,17)/t7-,11-/m0/s1.
What are the key properties of [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea?
[(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea has a molecular weight of 242.32 g/mol, XLogP of 0.66, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea is sourced from PubChem (CID 40534520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).