3-(2-methylprop-2-enoxy)-N-propylbenzamide

C14H19NO2 — CID 17133083

IUPAC3-(2-methylprop-2-enoxy)-N-propylbenzamide
SMILESC=C(C)COc1cccc(C(=O)NCCC)c1
InChIInChI=1S/C14H19NO2/c1-4-8-15-14(16)12-6-5-7-13(9-12)17-10-11(2)3/h5-7,9H,2,4,8,10H2,1,3H3,(H,15,16)
InChIKeyRTHMAMMMVBSFOJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.78
Rot. Bonds6

About 3-(2-methylprop-2-enoxy)-N-propylbenzamide

3-(2-methylprop-2-enoxy)-N-propylbenzamide (PubChem CID 17133083) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)-N-propylbenzamide.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)-N-propylbenzamide
PubChem CID17133083
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(2-methylprop-2-enoxy)-N-propylbenzamide
SMILESC=C(C)COc1cccc(C(=O)NCCC)c1
InChIInChI=1S/C14H19NO2/c1-4-8-15-14(16)12-6-5-7-13(9-12)17-10-11(2)3/h5-7,9H,2,4,8,10H2,1,3H3,(H,15,16)
InChIKeyRTHMAMMMVBSFOJ-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 46987909
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17194215
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 82070436
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17133060
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide
CID 131913633

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)-N-propylbenzamide?
The IUPAC name of 3-(2-methylprop-2-enoxy)-N-propylbenzamide (CID 17133083) is 3-(2-methylprop-2-enoxy)-N-propylbenzamide.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)-N-propylbenzamide?
The canonical SMILES for 3-(2-methylprop-2-enoxy)-N-propylbenzamide is C=C(C)COc1cccc(C(=O)NCCC)c1.
What is the InChIKey of 3-(2-methylprop-2-enoxy)-N-propylbenzamide?
The InChIKey is RTHMAMMMVBSFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-8-15-14(16)12-6-5-7-13(9-12)17-10-11(2)3/h5-7,9H,2,4,8,10H2,1,3H3,(H,15,16).
What are the key properties of 3-(2-methylprop-2-enoxy)-N-propylbenzamide?
3-(2-methylprop-2-enoxy)-N-propylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)-N-propylbenzamide is sourced from PubChem (CID 17133083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).