N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide

C16H21NO2 — CID 134460264

IUPACN-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCNC(=O)C1=C(C2C=CC=CC2OC)C=CCC1
InChIInChI=1S/C16H21NO2/c1-3-17-16(18)14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-2/h4,6-9,11,13,15H,3,5,10H2,1-2H3,(H,17,18)
InChIKeySIEXDRWKYZTNIA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.53
Rot. Bonds4

About N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide

N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 134460264) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID134460264
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCNC(=O)C1=C(C2C=CC=CC2OC)C=CCC1
InChIInChI=1S/C16H21NO2/c1-3-17-16(18)14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-2/h4,6-9,11,13,15H,3,5,10H2,1-2H3,(H,17,18)
InChIKeySIEXDRWKYZTNIA-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide (CID 134460264) is N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide is CCNC(=O)C1=C(C2C=CC=CC2OC)C=CCC1.
What is the InChIKey of N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is SIEXDRWKYZTNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-17-16(18)14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-2/h4,6-9,11,13,15H,3,5,10H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide?
N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-methoxycyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 134460264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).