N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide

C19H26N2O5 — CID 110280309

IUPACN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H26N2O5/c1-7-9-21(10-8-2)19(23)13(3)20-18(22)14-11-15(24-4)17(26-6)16(12-14)25-5/h7-8,11-13H,1-2,9-10H2,3-6H3,(H,20,22)
InChIKeyNTBBUGKCVKQJCY-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.03
Rot. Bonds10

About N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide

N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 110280309) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID110280309
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H26N2O5/c1-7-9-21(10-8-2)19(23)13(3)20-18(22)14-11-15(24-4)17(26-6)16(12-14)25-5/h7-8,11-13H,1-2,9-10H2,3-6H3,(H,20,22)
InChIKeyNTBBUGKCVKQJCY-UHFFFAOYSA-N
XLogP2.03
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide
CID 31445180
N-ethenyl-3,4,5-trimethoxybenzamide
CID 102575963
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 110280231
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 42702287
3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
CID 55451236
N-(4-bromobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 83178838
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
N-(1-cyanopropan-2-yl)-3,4,5-trimethoxybenzamide
CID 62090267
[2-(tert-butylamino)-2-oxoethyl] (2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 8884523

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide (CID 110280309) is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide is C=CCN(CC=C)C(=O)C(C)NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is NTBBUGKCVKQJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-7-9-21(10-8-2)19(23)13(3)20-18(22)14-11-15(24-4)17(26-6)16(12-14)25-5/h7-8,11-13H,1-2,9-10H2,3-6H3,(H,20,22).
What are the key properties of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 110280309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).