N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide

C18H24N4O3 — CID 18453156

IUPACN-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide
SMILESNC(=O)C1CCCCC1NC(=O)c1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C18H24N4O3/c19-16(23)14-4-1-2-5-15(14)21-17(24)12-6-8-13(9-7-12)22-11-3-10-20-18(22)25/h6-9,14-15H,1-5,10-11H2,(H2,19,23)(H,20,25)(H,21,24)
InChIKeyHPYBRCBWTAGYNN-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.38
Rot. Bonds4

About N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide

N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide (PubChem CID 18453156) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide
PubChem CID18453156
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide
SMILESNC(=O)C1CCCCC1NC(=O)c1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C18H24N4O3/c19-16(23)14-4-1-2-5-15(14)21-17(24)12-6-8-13(9-7-12)22-11-3-10-20-18(22)25/h6-9,14-15H,1-5,10-11H2,(H2,19,23)(H,20,25)(H,21,24)
InChIKeyHPYBRCBWTAGYNN-UHFFFAOYSA-N
XLogP1.38
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-carbamoylcyclopentyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18453013
N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 69439081
N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide
CID 96528372
4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666699
N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide
CID 124601145
N-(2-carbamoylcyclohexyl)-3-chloro-4-fluorobenzamide
CID 122147253
1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
CID 69400856
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
N-(2,3-dihydro-1H-inden-1-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299494
3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666698
4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
CID 96519279

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide?
The IUPAC name of N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide (CID 18453156) is N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide.
What is the SMILES notation for N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide?
The canonical SMILES for N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide is NC(=O)C1CCCCC1NC(=O)c1ccc(N2CCCNC2=O)cc1.
What is the InChIKey of N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide?
The InChIKey is HPYBRCBWTAGYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c19-16(23)14-4-1-2-5-15(14)21-17(24)12-6-8-13(9-7-12)22-11-3-10-20-18(22)25/h6-9,14-15H,1-5,10-11H2,(H2,19,23)(H,20,25)(H,21,24).
What are the key properties of N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide?
N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide has a molecular weight of 344.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide is sourced from PubChem (CID 18453156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).