4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide

C17H25N3O2 — CID 17180621

IUPAC4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(2)18-16(21)13-8-10-15(11-9-13)20-17(22)19-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyIFXQFHRJWOIXDV-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.28
Rot. Bonds4

About 4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide

4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide (PubChem CID 17180621) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
PubChem CID17180621
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(2)18-16(21)13-8-10-15(11-9-13)20-17(22)19-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyIFXQFHRJWOIXDV-UHFFFAOYSA-N
XLogP3.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-acetamido-N-cyclooctylbenzamide
CID 2990044
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897
N-[1-[4-(cyclopropylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55531749
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide (CID 17180621) is 4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide?
The InChIKey is IFXQFHRJWOIXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)18-16(21)13-8-10-15(11-9-13)20-17(22)19-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,18,21)(H2,19,20,22).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide?
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 17180621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).