N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide

C14H22N2O2 — CID 66796008

IUPACN-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide
SMILESCCCC(=O)NC1=C(NC(=O)CCC)CCC=C1
InChIInChI=1S/C14H22N2O2/c1-3-7-13(17)15-11-9-5-6-10-12(11)16-14(18)8-4-2/h5,9H,3-4,6-8,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMTSOYVJVSCFNDL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide

N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide (PubChem CID 66796008) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide
PubChem CID66796008
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide
SMILESCCCC(=O)NC1=C(NC(=O)CCC)CCC=C1
InChIInChI=1S/C14H22N2O2/c1-3-7-13(17)15-11-9-5-6-10-12(11)16-14(18)8-4-2/h5,9H,3-4,6-8,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMTSOYVJVSCFNDL-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide?
The IUPAC name of N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide (CID 66796008) is N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide.
What is the SMILES notation for N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide?
The canonical SMILES for N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide is CCCC(=O)NC1=C(NC(=O)CCC)CCC=C1.
What is the InChIKey of N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide?
The InChIKey is MTSOYVJVSCFNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-7-13(17)15-11-9-5-6-10-12(11)16-14(18)8-4-2/h5,9H,3-4,6-8,10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide?
N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)cyclohexa-1,3-dien-1-yl]butanamide is sourced from PubChem (CID 66796008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).