N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide

C16H24N2O2 — CID 21173960

IUPACN-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCCN(C)C)ccc1OC
InChIInChI=1S/C16H24N2O2/c1-5-7-13-12-14(8-9-15(13)20-4)16(19)17-10-6-11-18(2)3/h5,8-9,12H,1,6-7,10-11H2,2-4H3,(H,17,19)
InChIKeyQGSVBEHQHMQYHR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide

N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide (PubChem CID 21173960) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide
PubChem CID21173960
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCCN(C)C)ccc1OC
InChIInChI=1S/C16H24N2O2/c1-5-7-13-12-14(8-9-15(13)20-4)16(19)17-10-6-11-18(2)3/h5,8-9,12H,1,6-7,10-11H2,2-4H3,(H,17,19)
InChIKeyQGSVBEHQHMQYHR-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424
N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 92647071
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367878
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 37270693
N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide
CID 89277781
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21367438
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide (CID 21173960) is N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCCCN(C)C)ccc1OC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide?
The InChIKey is QGSVBEHQHMQYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-7-13-12-14(8-9-15(13)20-4)16(19)17-10-6-11-18(2)3/h5,8-9,12H,1,6-7,10-11H2,2-4H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide?
N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide is sourced from PubChem (CID 21173960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).