N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide

C20H37N3O2 — CID 86962853

IUPACN-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)NC2CCCCC2C(C)C)C1
InChIInChI=1S/C20H37N3O2/c1-13(2)17-10-5-6-11-18(17)23-20(25)22-16-9-7-8-15(12-16)19(24)21-14(3)4/h13-18H,5-12H2,1-4H3,(H,21,24)(H2,22,23,25)
InChIKeyCHAIEUWYCNJHGM-UHFFFAOYSA-N
MW351.54 g/mol
LogP3.58
Rot. Bonds5

About N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide

N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 86962853) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide
PubChem CID86962853
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC NameN-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)NC2CCCCC2C(C)C)C1
InChIInChI=1S/C20H37N3O2/c1-13(2)17-10-5-6-11-18(17)23-20(25)22-16-9-7-8-15(12-16)19(24)21-14(3)4/h13-18H,5-12H2,1-4H3,(H,21,24)(H2,22,23,25)
InChIKeyCHAIEUWYCNJHGM-UHFFFAOYSA-N
XLogP3.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea
CID 110933307
1-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 99576677
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea
CID 111455212
N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
CID 56791594
trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97242772
4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86961225
N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide
CID 84587926
3-[1-(3-bromo-4-methoxyphenyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962735
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962728
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
CID 107567415

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide (CID 86962853) is N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide is CC(C)NC(=O)C1CCCC(NC(=O)NC2CCCCC2C(C)C)C1.
What is the InChIKey of N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is CHAIEUWYCNJHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-13(2)17-10-5-6-11-18(17)23-20(25)22-16-9-7-8-15(12-16)19(24)21-14(3)4/h13-18H,5-12H2,1-4H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide?
N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 351.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 86962853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).