N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide

C18H24N2O3 — CID 166409112

IUPACN-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)NCCOC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-2-17(21)20-15-10-8-14(9-11-15)18(22)19-12-13-23-16-6-4-3-5-7-16/h2,8-11,16H,1,3-7,12-13H2,(H,19,22)(H,20,21)
InChIKeyCJFZXHVKKCNCOO-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.89
Rot. Bonds7

About N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide

N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide (PubChem CID 166409112) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide
PubChem CID166409112
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)NCCOC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-2-17(21)20-15-10-8-14(9-11-15)18(22)19-12-13-23-16-6-4-3-5-7-16/h2,8-11,16H,1,3-7,12-13H2,(H,19,22)(H,20,21)
InChIKeyCJFZXHVKKCNCOO-UHFFFAOYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 107030134
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CID 167860533
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
CID 123167407
4-(2-cyclohexyloxyethylamino)benzoic acid
CID 63827610
N-(2-cyclohexyloxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75462004
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide (CID 166409112) is N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(C(=O)NCCOC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide?
The InChIKey is CJFZXHVKKCNCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-17(21)20-15-10-8-14(9-11-15)18(22)19-12-13-23-16-6-4-3-5-7-16/h2,8-11,16H,1,3-7,12-13H2,(H,19,22)(H,20,21).
What are the key properties of N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide?
N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide has a molecular weight of 316.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166409112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).