4-(cyclohexylcarbamoylamino)-N-propylbenzamide

C17H25N3O2 — CID 17180771

IUPAC4-(cyclohexylcarbamoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-2-12-18-16(21)13-8-10-15(11-9-13)20-17(22)19-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyCKRAFJJLFXNEHC-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.28
Rot. Bonds5

About 4-(cyclohexylcarbamoylamino)-N-propylbenzamide

4-(cyclohexylcarbamoylamino)-N-propylbenzamide (PubChem CID 17180771) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-propylbenzamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-propylbenzamide
PubChem CID17180771
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-(cyclohexylcarbamoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-2-12-18-16(21)13-8-10-15(11-9-13)20-17(22)19-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyCKRAFJJLFXNEHC-UHFFFAOYSA-N
XLogP3.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
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-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-propylbenzamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-propylbenzamide (CID 17180771) is 4-(cyclohexylcarbamoylamino)-N-propylbenzamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-propylbenzamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-propylbenzamide?
The InChIKey is CKRAFJJLFXNEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-12-18-16(21)13-8-10-15(11-9-13)20-17(22)19-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-propylbenzamide?
4-(cyclohexylcarbamoylamino)-N-propylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-propylbenzamide is sourced from PubChem (CID 17180771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).