N-(3-prop-2-enoxypropyl)benzamide

C13H17NO2 — CID 10775246

IUPACN-(3-prop-2-enoxypropyl)benzamide
SMILESC=CCOCCCNC(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-10-16-11-6-9-14-13(15)12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2,(H,14,15)
InChIKeyQCABSLDDQYHXOQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.01
Rot. Bonds7

About N-(3-prop-2-enoxypropyl)benzamide

N-(3-prop-2-enoxypropyl)benzamide (PubChem CID 10775246) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(3-prop-2-enoxypropyl)benzamide.

Molecular Properties

Compound NameN-(3-prop-2-enoxypropyl)benzamide
PubChem CID10775246
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(3-prop-2-enoxypropyl)benzamide
SMILESC=CCOCCCNC(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-10-16-11-6-9-14-13(15)12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2,(H,14,15)
InChIKeyQCABSLDDQYHXOQ-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.01
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

N-(3-phenylmethoxypropyl)benzamide
CID 60701514
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
3-benzamidopropyl sulfite
CID 174467673
4-prop-2-enoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86930576
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
N-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111222186
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
methyl 4-benzamidobutanoate
CID 13197711
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
2-benzamidoethyl nitrate
CID 10536408
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726
N-[(3S)-3-hydroxyhex-5-enyl]benzamide
CID 101251672

Frequently Asked Questions

What is the IUPAC name of N-(3-prop-2-enoxypropyl)benzamide?
The IUPAC name of N-(3-prop-2-enoxypropyl)benzamide (CID 10775246) is N-(3-prop-2-enoxypropyl)benzamide.
What is the SMILES notation for N-(3-prop-2-enoxypropyl)benzamide?
The canonical SMILES for N-(3-prop-2-enoxypropyl)benzamide is C=CCOCCCNC(=O)c1ccccc1.
What is the InChIKey of N-(3-prop-2-enoxypropyl)benzamide?
The InChIKey is QCABSLDDQYHXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-10-16-11-6-9-14-13(15)12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2,(H,14,15).
What are the key properties of N-(3-prop-2-enoxypropyl)benzamide?
N-(3-prop-2-enoxypropyl)benzamide has a molecular weight of 219.28 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-2-enoxypropyl)benzamide is sourced from PubChem (CID 10775246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).