(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide

C15H19NO3 — CID 103280113

IUPAC(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)NCC1CCC(O)C1
InChIInChI=1S/C15H19NO3/c17-13-5-1-11(2-6-13)4-8-15(19)16-10-12-3-7-14(18)9-12/h1-2,4-6,8,12,14,17-18H,3,7,9-10H2,(H,16,19)/b8-4+
InChIKeyNZPOAUJTNXUKOQ-XBXARRHUSA-N
MW261.32 g/mol
LogP1.68
Rot. Bonds4

About (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 103280113) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID103280113
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)NCC1CCC(O)C1
InChIInChI=1S/C15H19NO3/c17-13-5-1-11(2-6-13)4-8-15(19)16-10-12-3-7-14(18)9-12/h1-2,4-6,8,12,14,17-18H,3,7,9-10H2,(H,16,19)/b8-4+
InChIKeyNZPOAUJTNXUKOQ-XBXARRHUSA-N
XLogP1.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 111460408
4-[3-[(3-hydroxycyclobutyl)methylamino]-3-oxoprop-1-enyl]benzamide
CID 77109915
(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide
CID 103280647
(E)-3-(2-ethoxyphenyl)-N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide
CID 103279773
(E)-3-(4-aminophenyl)-N-[(4-methylcyclohexyl)methyl]prop-2-enamide
CID 115344107
N-[(3-hydroxycyclohexyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111460494
3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
CID 111460349
3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide
CID 77111150
(E)-3-(2-bromophenyl)-N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106123126
(E)-3-(4-chlorophenyl)-N-(pyrrolidin-3-ylmethyl)prop-2-enamide
CID 80562970
(E)-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 102001285
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide (CID 103280113) is (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(O)cc1)NCC1CCC(O)C1.
What is the InChIKey of (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is NZPOAUJTNXUKOQ-XBXARRHUSA-N. The full InChI is InChI=1S/C15H19NO3/c17-13-5-1-11(2-6-13)4-8-15(19)16-10-12-3-7-14(18)9-12/h1-2,4-6,8,12,14,17-18H,3,7,9-10H2,(H,16,19)/b8-4+.
What are the key properties of (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 103280113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).