(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide

C15H23NO2 — CID 11436615

IUPAC(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide
SMILESC=C(C)[C@H]1CC=C(/C=C(\C)C(=O)NCCO)CC1
InChIInChI=1S/C15H23NO2/c1-11(2)14-6-4-13(5-7-14)10-12(3)15(18)16-8-9-17/h4,10,14,17H,1,5-9H2,2-3H3,(H,16,18)/b12-10+/t14-/m0/s1
InChIKeyXTMRPBKMMYYZRL-WONIAPNHSA-N
MW249.35 g/mol
LogP2.34
Rot. Bonds5

About (E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide

(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide (PubChem CID 11436615) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide
PubChem CID11436615
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide
SMILESC=C(C)[C@H]1CC=C(/C=C(\C)C(=O)NCCO)CC1
InChIInChI=1S/C15H23NO2/c1-11(2)14-6-4-13(5-7-14)10-12(3)15(18)16-8-9-17/h4,10,14,17H,1,5-9H2,2-3H3,(H,16,18)/b12-10+/t14-/m0/s1
InChIKeyXTMRPBKMMYYZRL-WONIAPNHSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)retinamide
CID 6437840
Semiplenamide A
CID 10384247
13-cis-N-(2-Hydroxyethyl)retinamide
CID 44301694
N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide
CID 85128014
N-(2-hydroxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 114795
(3S,4R)-3-ethyl-4-fluoro-N-(2-hydroxyethyl)cyclohexa-1,5-diene-1-carboxamide
CID 167046954
6-ethyl-3-fluoro-N-(2-hydroxyethyl)cyclohepta-1,3,6-triene-1-carboxamide
CID 167046965
(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 11368442
(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 139189970
(S,E)-N-(1-hydroxypropan-2-yl)-2-methyldec-2-enamide
CID 177896835
(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237
(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide
CID 21158634

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide (CID 11436615) is (E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide is C=C(C)[C@H]1CC=C(/C=C(\C)C(=O)NCCO)CC1.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide?
The InChIKey is XTMRPBKMMYYZRL-WONIAPNHSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)14-6-4-13(5-7-14)10-12(3)15(18)16-8-9-17/h4,10,14,17H,1,5-9H2,2-3H3,(H,16,18)/b12-10+/t14-/m0/s1.
What are the key properties of (E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide?
(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide has a molecular weight of 249.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide is sourced from PubChem (CID 11436615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).