5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide

C16H26N2O2 — CID 71080629

IUPAC5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCCC(=O)NC1=CC=CC(C(=O)N(C(C)C)C(C)C)C1
InChIInChI=1S/C16H26N2O2/c1-6-15(19)17-14-9-7-8-13(10-14)16(20)18(11(2)3)12(4)5/h7-9,11-13H,6,10H2,1-5H3,(H,17,19)
InChIKeyBZCGYOABASEGLZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.62
Rot. Bonds5

About 5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide

5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 71080629) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID71080629
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCCC(=O)NC1=CC=CC(C(=O)N(C(C)C)C(C)C)C1
InChIInChI=1S/C16H26N2O2/c1-6-15(19)17-14-9-7-8-13(10-14)16(20)18(11(2)3)12(4)5/h7-9,11-13H,6,10H2,1-5H3,(H,17,19)
InChIKeyBZCGYOABASEGLZ-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide (CID 71080629) is 5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide is CCC(=O)NC1=CC=CC(C(=O)N(C(C)C)C(C)C)C1.
What is the InChIKey of 5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is BZCGYOABASEGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-15(19)17-14-9-7-8-13(10-14)16(20)18(11(2)3)12(4)5/h7-9,11-13H,6,10H2,1-5H3,(H,17,19).
What are the key properties of 5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 71080629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).