N-(2-methylprop-2-enyl)-3-propoxybenzamide

C14H19NO2 — CID 114618945

IUPACN-(2-methylprop-2-enyl)-3-propoxybenzamide
SMILESC=C(C)CNC(=O)c1cccc(OCCC)c1
InChIInChI=1S/C14H19NO2/c1-4-8-17-13-7-5-6-12(9-13)14(16)15-10-11(2)3/h5-7,9H,2,4,8,10H2,1,3H3,(H,15,16)
InChIKeyVQTCONOGYWUEHN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.78
Rot. Bonds6

About N-(2-methylprop-2-enyl)-3-propoxybenzamide

N-(2-methylprop-2-enyl)-3-propoxybenzamide (PubChem CID 114618945) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-3-propoxybenzamide
PubChem CID114618945
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-methylprop-2-enyl)-3-propoxybenzamide
SMILESC=C(C)CNC(=O)c1cccc(OCCC)c1
InChIInChI=1S/C14H19NO2/c1-4-8-17-13-7-5-6-12(9-13)14(16)15-10-11(2)3/h5-7,9H,2,4,8,10H2,1,3H3,(H,15,16)
InChIKeyVQTCONOGYWUEHN-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'}

Analyze N-(2-methylprop-2-enyl)-3-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919842
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
CID 65112128
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
N-pent-3-ynyl-3-propoxybenzamide
CID 115977193
N-(2-bromopentyl)-3-propoxybenzamide
CID 113496505

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-3-propoxybenzamide?
The IUPAC name of N-(2-methylprop-2-enyl)-3-propoxybenzamide (CID 114618945) is N-(2-methylprop-2-enyl)-3-propoxybenzamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-3-propoxybenzamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-3-propoxybenzamide is C=C(C)CNC(=O)c1cccc(OCCC)c1.
What is the InChIKey of N-(2-methylprop-2-enyl)-3-propoxybenzamide?
The InChIKey is VQTCONOGYWUEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-8-17-13-7-5-6-12(9-13)14(16)15-10-11(2)3/h5-7,9H,2,4,8,10H2,1,3H3,(H,15,16).
What are the key properties of N-(2-methylprop-2-enyl)-3-propoxybenzamide?
N-(2-methylprop-2-enyl)-3-propoxybenzamide 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 N-(2-methylprop-2-enyl)-3-propoxybenzamide is sourced from PubChem (CID 114618945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).