N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide

C15H18N2O4 — CID 76941521

IUPACN-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1CCCCC1O
InChIInChI=1S/C15H18N2O4/c18-14-4-2-1-3-13(14)16-15(19)10-7-11-5-8-12(9-6-11)17(20)21/h5-10,13-14,18H,1-4H2,(H,16,19)
InChIKeyMROXZZNWGSYHPG-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.03
Rot. Bonds4

About N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide

N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 76941521) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID76941521
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1CCCCC1O
InChIInChI=1S/C15H18N2O4/c18-14-4-2-1-3-13(14)16-15(19)10-7-11-5-8-12(9-6-11)17(20)21/h5-10,13-14,18H,1-4H2,(H,16,19)
InChIKeyMROXZZNWGSYHPG-UHFFFAOYSA-N
XLogP2.03
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
(E)-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 55063743
(E)-3-(4-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104956851
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 76941549
(E)-N-[(1S,2R)-2-methylcyclohexyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7478919
(E)-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 102001285
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
(E)-N-(2-cyclopentylsulfanylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 94101564
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
dicyclohexylazanium;(E)-3-(4-nitrophenyl)prop-2-enoate
CID 139195253
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide (CID 76941521) is N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide is O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is MROXZZNWGSYHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14-4-2-1-3-13(14)16-15(19)10-7-11-5-8-12(9-6-11)17(20)21/h5-10,13-14,18H,1-4H2,(H,16,19).
What are the key properties of N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide?
N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 290.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 76941521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).