N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide

C15H24N2O2 — CID 143482196

IUPACN-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)C(=O)NCC(C)(C)NC(=O)C1=CCCC=C1
InChIInChI=1S/C15H24N2O2/c1-11(2)13(18)16-10-15(3,4)17-14(19)12-8-6-5-7-9-12/h6,8-9,11H,5,7,10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyFNJWXMDPYPODPR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.93
Rot. Bonds5

About N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide

N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 143482196) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide
PubChem CID143482196
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)C(=O)NCC(C)(C)NC(=O)C1=CCCC=C1
InChIInChI=1S/C15H24N2O2/c1-11(2)13(18)16-10-15(3,4)17-14(19)12-8-6-5-7-9-12/h6,8-9,11H,5,7,10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyFNJWXMDPYPODPR-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide (CID 143482196) is N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide is CC(C)C(=O)NCC(C)(C)NC(=O)C1=CCCC=C1.
What is the InChIKey of N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is FNJWXMDPYPODPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)13(18)16-10-15(3,4)17-14(19)12-8-6-5-7-9-12/h6,8-9,11H,5,7,10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide?
N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 143482196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).