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

C16H21NO2 — CID 103280647

IUPAC(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NCC1CCC(O)C1
InChIInChI=1S/C16H21NO2/c1-12-4-2-3-5-14(12)7-9-16(19)17-11-13-6-8-15(18)10-13/h2-5,7,9,13,15,18H,6,8,10-11H2,1H3,(H,17,19)/b9-7+
InChIKeyHUOZJKWSCOUYCT-VQHVLOKHSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds4

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

(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide (PubChem CID 103280647) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide
PubChem CID103280647
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NCC1CCC(O)C1
InChIInChI=1S/C16H21NO2/c1-12-4-2-3-5-14(12)7-9-16(19)17-11-13-6-8-15(18)10-13/h2-5,7,9,13,15,18H,6,8,10-11H2,1H3,(H,17,19)/b9-7+
InChIKeyHUOZJKWSCOUYCT-VQHVLOKHSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-ethoxyphenyl)-N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide
CID 103279773
(E)-3-(2-bromophenyl)-N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106123126
(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 103280113
(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
CID 43389166
(E)-N-[(3-hydroxycyclohexyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 111460122
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide
CID 115612706
3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279864
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methylphenyl)prop-2-enamide
CID 104957464
ethyl [4-[4-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]piperidine-1-carbonyl]phenyl] carbonate
CID 108930212
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
3-[3-(2-methylphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77109183

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide (CID 103280647) is (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide is Cc1ccccc1/C=C/C(=O)NCC1CCC(O)C1.
What is the InChIKey of (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is HUOZJKWSCOUYCT-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-4-2-3-5-14(12)7-9-16(19)17-11-13-6-8-15(18)10-13/h2-5,7,9,13,15,18H,6,8,10-11H2,1H3,(H,17,19)/b9-7+.
What are the key properties of (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide?
(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 259.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 103280647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).