1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide

C18H21N3O3 — CID 54451991

IUPAC1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)NCC=C)cc(C(=O)NCC=C)c1
InChIInChI=1S/C18H21N3O3/c1-4-7-19-16(22)13-10-14(17(23)20-8-5-2)12-15(11-13)18(24)21-9-6-3/h4-6,10-12H,1-3,7-9H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyWVOTYMQQWTWNPD-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.43
Rot. Bonds9

About 1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide (PubChem CID 54451991) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
PubChem CID54451991
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)NCC=C)cc(C(=O)NCC=C)c1
InChIInChI=1S/C18H21N3O3/c1-4-7-19-16(22)13-10-14(17(23)20-8-5-2)12-15(11-13)18(24)21-9-6-3/h4-6,10-12H,1-3,7-9H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyWVOTYMQQWTWNPD-UHFFFAOYSA-N
XLogP1.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide
CID 126791243
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
3-(dihydroxyamino)-5-(dioxidoamino)-4-methyl-N-prop-2-enylbenzamide
CID 163160934
N-prop-2-enylquinoxaline-6-carboxamide
CID 2256092
4-chloro-3-fluoro-N-prop-2-enylbenzamide
CID 103875478
4-[4-carboxy-3-(prop-2-enylcarbamoyl)phenyl]-2-(prop-2-enylcarbamoyl)benzoic acid
CID 70576867
4-formamido-N-prop-2-enylbenzamide
CID 64992358
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide (CID 54451991) is 1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide is C=CCNC(=O)c1cc(C(=O)NCC=C)cc(C(=O)NCC=C)c1.
What is the InChIKey of 1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide?
The InChIKey is WVOTYMQQWTWNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-7-19-16(22)13-10-14(17(23)20-8-5-2)12-15(11-13)18(24)21-9-6-3/h4-6,10-12H,1-3,7-9H2,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 54451991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).