[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid

C17H30N2O3 — CID 70827651

IUPAC[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
SMILESCCC(=O)NC1CCC(CC2CCC(NC(=O)O)CC2)CC1
InChIInChI=1S/C17H30N2O3/c1-2-16(20)18-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)19-17(21)22/h12-15,19H,2-11H2,1H3,(H,18,20)(H,21,22)
InChIKeyYLCVITXZWSTBBX-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.29
Rot. Bonds5

About [4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid

[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid (PubChem CID 70827651) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is [4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
PubChem CID70827651
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
SMILESCCC(=O)NC1CCC(CC2CCC(NC(=O)O)CC2)CC1
InChIInChI=1S/C17H30N2O3/c1-2-16(20)18-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)19-17(21)22/h12-15,19H,2-11H2,1H3,(H,18,20)(H,21,22)
InChIKeyYLCVITXZWSTBBX-UHFFFAOYSA-N
XLogP3.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid
CID 156534377
N-cyclododecylpropanamide
CID 2784600
[4-(iodomethyl)cyclohexyl]carbamic acid
CID 89239782
[4-(methoxymethyl)cyclohexyl]carbamic acid
CID 66699748
N-(3-aminocyclopentyl)propanamide
CID 83619264
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea
CID 12035238
ethane;N-(4-methylsulfanylcyclohexyl)propanamide
CID 142541803

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid (CID 70827651) is [4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid is CCC(=O)NC1CCC(CC2CCC(NC(=O)O)CC2)CC1.
What is the InChIKey of [4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid?
The InChIKey is YLCVITXZWSTBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-2-16(20)18-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)19-17(21)22/h12-15,19H,2-11H2,1H3,(H,18,20)(H,21,22).
What are the key properties of [4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid?
[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid has a molecular weight of 310.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 70827651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).