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

C27H33N3O3 — CID 54167300

IUPAC1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(C(=O)N(CC=C)CC=C)cc(C(=O)N(CC=C)CC=C)c1
InChIInChI=1S/C27H33N3O3/c1-7-13-28(14-8-2)25(31)22-19-23(26(32)29(15-9-3)16-10-4)21-24(20-22)27(33)30(17-11-5)18-12-6/h7-12,19-21H,1-6,13-18H2
InChIKeyOSNVSNPHDOVUMS-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.13
Rot. Bonds15

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

1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide (PubChem CID 54167300) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
PubChem CID54167300
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(C(=O)N(CC=C)CC=C)cc(C(=O)N(CC=C)CC=C)c1
InChIInChI=1S/C27H33N3O3/c1-7-13-28(14-8-2)25(31)22-19-23(26(32)29(15-9-3)16-10-4)21-24(20-22)27(33)30(17-11-5)18-12-6/h7-12,19-21H,1-6,13-18H2
InChIKeyOSNVSNPHDOVUMS-UHFFFAOYSA-N
XLogP4.13
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide with MolForge

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Related Compounds

3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide
CID 104851837
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580756
2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 114325556
N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 115775572
3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide
CID 78784574
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580497
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
3-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide
CID 82781671
5-methyl-N,N-bis(prop-2-enyl)-1,2-oxazole-3-carboxamide
CID 25237561

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide (CID 54167300) is 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide is C=CCN(CC=C)C(=O)c1cc(C(=O)N(CC=C)CC=C)cc(C(=O)N(CC=C)CC=C)c1.
What is the InChIKey of 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide?
The InChIKey is OSNVSNPHDOVUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-7-13-28(14-8-2)25(31)22-19-23(26(32)29(15-9-3)16-10-4)21-24(20-22)27(33)30(17-11-5)18-12-6/h7-12,19-21H,1-6,13-18H2.
What are the key properties of 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide?
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.13, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 54167300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).