N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C15H20N2O3 — CID 110887309

IUPACN-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(CO)NC(=O)C(C)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(10-18)16-15(20)12(2)17-14(19)9-8-13-6-4-3-5-7-13/h3-9,11-12,18H,10H2,1-2H3,(H,16,20)(H,17,19)/b9-8+
InChIKeySKUVASWJSYOUQN-CMDGGOBGSA-N
MW276.34 g/mol
LogP0.70
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 110887309) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID110887309
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(CO)NC(=O)C(C)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(10-18)16-15(20)12(2)17-14(19)9-8-13-6-4-3-5-7-13/h3-9,11-12,18H,10H2,1-2H3,(H,16,20)(H,17,19)/b9-8+
InChIKeySKUVASWJSYOUQN-CMDGGOBGSA-N
XLogP0.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.70
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-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-phenylprop-2-enoylamino)propanamide
CID 110908948
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
CID 51157915
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55843820
N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide
CID 110877650

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 110887309) is N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is CC(CO)NC(=O)C(C)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is SKUVASWJSYOUQN-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(10-18)16-15(20)12(2)17-14(19)9-8-13-6-4-3-5-7-13/h3-9,11-12,18H,10H2,1-2H3,(H,16,20)(H,17,19)/b9-8+.
What are the key properties of N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 276.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 110887309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).