N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide

C15H19NO2 — CID 115627677

IUPACN-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC/C=C/C)cc1
InChIInChI=1S/C15H19NO2/c1-3-5-6-11-16-15(17)13-7-9-14(10-8-13)18-12-4-2/h3-5,7-10H,2,6,11-12H2,1H3,(H,16,17)/b5-3+
InChIKeyZVYYQMBNMRFKDQ-HWKANZROSA-N
MW245.32 g/mol
LogP2.95
Rot. Bonds7

About N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide

N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide (PubChem CID 115627677) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide
PubChem CID115627677
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC/C=C/C)cc1
InChIInChI=1S/C15H19NO2/c1-3-5-6-11-16-15(17)13-7-9-14(10-8-13)18-12-4-2/h3-5,7-10H,2,6,11-12H2,1H3,(H,16,17)/b5-3+
InChIKeyZVYYQMBNMRFKDQ-HWKANZROSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
4-[[(E)-pent-3-enyl]carbamoyl]benzoic acid
CID 115910429
N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide
CID 111461166
N-[(2S)-2-hydroxypropyl]-4-prop-2-enoxybenzamide
CID 83030992
2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide
CID 46461330
4-prop-2-enoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64546203
2,2-dimethyl-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 81367554
3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 115628304
N-[3-(3,4-dimethoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 48586947
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
CID 99590993
N-ethoxy-4-prop-2-enoxybenzamide
CID 60735511
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide (CID 115627677) is N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCC/C=C/C)cc1.
What is the InChIKey of N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide?
The InChIKey is ZVYYQMBNMRFKDQ-HWKANZROSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-5-6-11-16-15(17)13-7-9-14(10-8-13)18-12-4-2/h3-5,7-10H,2,6,11-12H2,1H3,(H,16,17)/b5-3+.
What are the key properties of N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide?
N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide has a molecular weight of 245.32 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 115627677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).