N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide

C24H28N2O3 — CID 167755068

IUPACN-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)N[C@@H](C)CNC(=O)CC(C=C)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-4-15-29-22-14-10-9-13-21(22)24(28)26-18(3)17-25-23(27)16-19(5-2)20-11-7-6-8-12-20/h4-14,18-19H,1-2,15-17H2,3H3,(H,25,27)(H,26,28)/t18-,19?/m0/s1
InChIKeyCEWVMEBMLQVGIS-OYKVQYDMSA-N
MW392.50 g/mol
LogP3.85
Rot. Bonds11

About N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide

N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide (PubChem CID 167755068) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide
PubChem CID167755068
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)N[C@@H](C)CNC(=O)CC(C=C)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-4-15-29-22-14-10-9-13-21(22)24(28)26-18(3)17-25-23(27)16-19(5-2)20-11-7-6-8-12-20/h4-14,18-19H,1-2,15-17H2,3H3,(H,25,27)(H,26,28)/t18-,19?/m0/s1
InChIKeyCEWVMEBMLQVGIS-OYKVQYDMSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide
CID 113278524
5-[(2-prop-2-enoxybenzoyl)amino]hexanoic acid
CID 82845336
N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
CID 120651699
(2S)-3-methyl-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 61172917
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
(2S)-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564143
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate
CID 124572872
N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide
CID 115767251
2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid
CID 82043574
(3S)-3-phenylpent-4-enoic acid
CID 92981953
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide (CID 167755068) is N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)N[C@@H](C)CNC(=O)CC(C=C)c1ccccc1.
What is the InChIKey of N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide?
The InChIKey is CEWVMEBMLQVGIS-OYKVQYDMSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-15-29-22-14-10-9-13-21(22)24(28)26-18(3)17-25-23(27)16-19(5-2)20-11-7-6-8-12-20/h4-14,18-19H,1-2,15-17H2,3H3,(H,25,27)(H,26,28)/t18-,19?/m0/s1.
What are the key properties of N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide?
N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide has a molecular weight of 392.50 g/mol, XLogP of 3.85, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 167755068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).