N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide

C19H26N2O3 — CID 111470046

IUPACN-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide
SMILESCC(C)=CC(=O)NCc1ccc(C(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13(2)11-18(23)20-12-14-3-5-15(6-4-14)19(24)21-16-7-9-17(22)10-8-16/h3-6,11,16-17,22H,7-10,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyTTWACEUFMHJPTR-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.30
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide

N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide (PubChem CID 111470046) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide
PubChem CID111470046
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide
SMILESCC(C)=CC(=O)NCc1ccc(C(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13(2)11-18(23)20-12-14-3-5-15(6-4-14)19(24)21-16-7-9-17(22)10-8-16/h3-6,11,16-17,22H,7-10,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyTTWACEUFMHJPTR-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide with MolForge

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Related Compounds

4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 119456323
4-cyclohexyl-N-(4-hydroxycyclohexyl)benzamide
CID 78790783
N-cyclopropyl-4-[(E)-3-oxo-3-[[4-(phenylmethoxymethyl)phenyl]methylamino]prop-1-enyl]benzamide
CID 55697987
4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
CID 114549437
N-[[4-[(1S,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]phenyl]methyl]-3-methylbut-2-enamide
CID 98350050
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide (CID 111470046) is N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide is CC(C)=CC(=O)NCc1ccc(C(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide?
The InChIKey is TTWACEUFMHJPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(2)11-18(23)20-12-14-3-5-15(6-4-14)19(24)21-16-7-9-17(22)10-8-16/h3-6,11,16-17,22H,7-10,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide?
N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide has a molecular weight of 330.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-[(3-methylbut-2-enoylamino)methyl]benzamide is sourced from PubChem (CID 111470046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).