N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide

C14H20N2O3 — CID 109012115

IUPACN-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C14H20N2O3/c1-4-8-15-9-7-14(17)16-12-6-5-11(18-2)10-13(12)19-3/h4-6,10,15H,1,7-9H2,2-3H3,(H,16,17)
InChIKeyVMHCZIYFBURBJR-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.81
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide

N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide (PubChem CID 109012115) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
PubChem CID109012115
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C14H20N2O3/c1-4-8-15-9-7-14(17)16-12-6-5-11(18-2)10-13(12)19-3/h4-6,10,15H,1,7-9H2,2-3H3,(H,16,17)
InChIKeyVMHCZIYFBURBJR-UHFFFAOYSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109013717
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide
CID 50969221
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate
CID 91737375
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide (CID 109012115) is N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide is C=CCNCCC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide?
The InChIKey is VMHCZIYFBURBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-8-15-9-7-14(17)16-12-6-5-11(18-2)10-13(12)19-3/h4-6,10,15H,1,7-9H2,2-3H3,(H,16,17).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide?
N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide has a molecular weight of 264.33 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide is sourced from PubChem (CID 109012115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).