N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide

C18H25NO3 — CID 154880571

IUPACN-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1OCC)CC1(O)CCCC1
InChIInChI=1S/C18H25NO3/c1-3-17(20)19(14-18(21)11-7-8-12-18)13-15-9-5-6-10-16(15)22-4-2/h3,5-6,9-10,21H,1,4,7-8,11-14H2,2H3
InChIKeyCHQIQRRCNKMZJC-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.90
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide

N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide (PubChem CID 154880571) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
PubChem CID154880571
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1OCC)CC1(O)CCCC1
InChIInChI=1S/C18H25NO3/c1-3-17(20)19(14-18(21)11-7-8-12-18)13-15-9-5-6-10-16(15)22-4-2/h3,5-6,9-10,21H,1,4,7-8,11-14H2,2H3
InChIKeyCHQIQRRCNKMZJC-UHFFFAOYSA-N
XLogP2.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366816
N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 115760068
1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60963653
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 81487244
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 112796331
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 63131473
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115452916
N-[(2-butoxyphenyl)methyl]-N-[(1-methylsulfonylazetidin-3-yl)methyl]prop-2-enamide
CID 166415696
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide (CID 154880571) is N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide is C=CC(=O)N(Cc1ccccc1OCC)CC1(O)CCCC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The InChIKey is CHQIQRRCNKMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-17(20)19(14-18(21)11-7-8-12-18)13-15-9-5-6-10-16(15)22-4-2/h3,5-6,9-10,21H,1,4,7-8,11-14H2,2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide has a molecular weight of 303.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide is sourced from PubChem (CID 154880571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).