4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide

C16H19NO2 — CID 142206630

IUPAC4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide
SMILESCCOc1ccc(C(=O)NC2=CC=C(C)CC2)cc1
InChIInChI=1S/C16H19NO2/c1-3-19-15-10-6-13(7-11-15)16(18)17-14-8-4-12(2)5-9-14/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,17,18)
InChIKeySEQAYACOQAWOJW-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.44
Rot. Bonds4

About 4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide

4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide (PubChem CID 142206630) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide
PubChem CID142206630
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide
SMILESCCOc1ccc(C(=O)NC2=CC=C(C)CC2)cc1
InChIInChI=1S/C16H19NO2/c1-3-19-15-10-6-13(7-11-15)16(18)17-14-8-4-12(2)5-9-14/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,17,18)
InChIKeySEQAYACOQAWOJW-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
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CID 23876301
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
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N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide (CID 142206630) is 4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide is CCOc1ccc(C(=O)NC2=CC=C(C)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide?
The InChIKey is SEQAYACOQAWOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-15-10-6-13(7-11-15)16(18)17-14-8-4-12(2)5-9-14/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,17,18).
What are the key properties of 4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide?
4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide is sourced from PubChem (CID 142206630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).