3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide

C18H20N2O3 — CID 112980100

IUPAC3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-4-11-19-14-6-8-15(9-7-14)20-18(21)13-5-10-16(22-2)17(12-13)23-3/h4-10,12,19H,1,11H2,2-3H3,(H,20,21)
InChIKeyPDSPOYUUTOBRAO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.55
Rot. Bonds7

About 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide

3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide (PubChem CID 112980100) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
PubChem CID112980100
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-4-11-19-14-6-8-15(9-7-14)20-18(21)13-5-10-16(22-2)17(12-13)23-3/h4-10,12,19H,1,11H2,2-3H3,(H,20,21)
InChIKeyPDSPOYUUTOBRAO-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952478
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 35018344

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide (CID 112980100) is 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide is C=CCNc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide?
The InChIKey is PDSPOYUUTOBRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-11-19-14-6-8-15(9-7-14)20-18(21)13-5-10-16(22-2)17(12-13)23-3/h4-10,12,19H,1,11H2,2-3H3,(H,20,21).
What are the key properties of 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide?
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide is sourced from PubChem (CID 112980100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).