(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide

C17H25NO3 — CID 103773009

IUPAC(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCCC(CCO)CNC(=O)/C=C/c1ccccc1OC
InChIInChI=1S/C17H25NO3/c1-3-6-14(11-12-19)13-18-17(20)10-9-15-7-4-5-8-16(15)21-2/h4-5,7-10,14,19H,3,6,11-13H2,1-2H3,(H,18,20)/b10-9+
InChIKeyQPFRNUAFFBNIAT-MDZDMXLPSA-N
MW291.39 g/mol
LogP2.62
Rot. Bonds9

About (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 103773009) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID103773009
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCCC(CCO)CNC(=O)/C=C/c1ccccc1OC
InChIInChI=1S/C17H25NO3/c1-3-6-14(11-12-19)13-18-17(20)10-9-15-7-4-5-8-16(15)21-2/h4-5,7-10,14,19H,3,6,11-13H2,1-2H3,(H,18,20)/b10-9+
InChIKeyQPFRNUAFFBNIAT-MDZDMXLPSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014
3-methoxy-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 103153296
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
(E)-N-(4-hydroxy-2,2-dimethylbutyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 103772890
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate
CID 76898175
5-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpentanoic acid
CID 104682529
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 110001866
2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387522

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 103773009) is (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide is CCCC(CCO)CNC(=O)/C=C/c1ccccc1OC.
What is the InChIKey of (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is QPFRNUAFFBNIAT-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-6-14(11-12-19)13-18-17(20)10-9-15-7-4-5-8-16(15)21-2/h4-5,7-10,14,19H,3,6,11-13H2,1-2H3,(H,18,20)/b10-9+.
What are the key properties of (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 103773009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).