N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide

C14H19NO3 — CID 77064988

IUPACN-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NC(CO)CO)cc1
InChIInChI=1S/C14H19NO3/c1-2-11-3-5-12(6-4-11)7-8-14(18)15-13(9-16)10-17/h3-8,13,16-17H,2,9-10H2,1H3,(H,15,18)
InChIKeyWOZGGCKSHPOERQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.73
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide

N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide (PubChem CID 77064988) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
PubChem CID77064988
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NC(CO)CO)cc1
InChIInChI=1S/C14H19NO3/c1-2-11-3-5-12(6-4-11)7-8-14(18)15-13(9-16)10-17/h3-8,13,16-17H,2,9-10H2,1H3,(H,15,18)
InChIKeyWOZGGCKSHPOERQ-UHFFFAOYSA-N
XLogP0.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.73
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

3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
methyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 43407215
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
methyl (2R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]propanoate
CID 113257899
(2S)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]butanedioic acid
CID 112733129
3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055669
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
(2S,3R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 104964479
N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 61246484
5-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]hexanoic acid
CID 82845058
N-(1,3-dihydroxypropan-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 77065093
3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide
CID 106166029

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide (CID 77064988) is N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide is CCc1ccc(C=CC(=O)NC(CO)CO)cc1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide?
The InChIKey is WOZGGCKSHPOERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-11-3-5-12(6-4-11)7-8-14(18)15-13(9-16)10-17/h3-8,13,16-17H,2,9-10H2,1H3,(H,15,18).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide?
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 77064988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).