(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide

C15H18N2O4 — CID 102684933

IUPAC(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])N(CCO)C1CCC1
InChIInChI=1S/C15H18N2O4/c18-11-10-16(13-5-3-6-13)15(19)9-8-12-4-1-2-7-14(12)17(20)21/h1-2,4,7-9,13,18H,3,5-6,10-11H2/b9-8+
InChIKeyTVEFAHVGQADOSH-CMDGGOBGSA-N
MW290.32 g/mol
LogP1.98
Rot. Bonds6

About (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide

(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 102684933) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID102684933
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])N(CCO)C1CCC1
InChIInChI=1S/C15H18N2O4/c18-11-10-16(13-5-3-6-13)15(19)9-8-12-4-1-2-7-14(12)17(20)21/h1-2,4,7-9,13,18H,3,5-6,10-11H2/b9-8+
InChIKeyTVEFAHVGQADOSH-CMDGGOBGSA-N
XLogP1.98
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
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

(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 18102009
(E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide
CID 43577156
(E)-N-cyclobutyl-3-(2,3-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684628
(E)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 78837588
(E)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 33078421
(E)-N-ethyl-N-(3-hydroxypropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 115771758
N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 72687651
N-methyl-3-(2-nitrophenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 76994737
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
3-(N-cyclobutyl-2-nitroanilino)propan-1-ol
CID 102846754
N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide
CID 90423542

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide (CID 102684933) is (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])N(CCO)C1CCC1.
What is the InChIKey of (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is TVEFAHVGQADOSH-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-11-10-16(13-5-3-6-13)15(19)9-8-12-4-1-2-7-14(12)17(20)21/h1-2,4,7-9,13,18H,3,5-6,10-11H2/b9-8+.
What are the key properties of (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 290.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 102684933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).