4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide

C12H20N2O — CID 70974374

IUPAC4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CC(C(=O)NC(C)C)=CC(C)C1N
InChIInChI=1S/C12H20N2O/c1-7(2)14-12(15)10-5-8(3)11(13)9(4)6-10/h5-8,11H,13H2,1-4H3,(H,14,15)
InChIKeyHDGUBJCZNKDWIO-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.36
Rot. Bonds2

About 4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide

4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 70974374) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
PubChem CID70974374
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CC(C(=O)NC(C)C)=CC(C)C1N
InChIInChI=1S/C12H20N2O/c1-7(2)14-12(15)10-5-8(3)11(13)9(4)6-10/h5-8,11H,13H2,1-4H3,(H,14,15)
InChIKeyHDGUBJCZNKDWIO-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44561467
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Sarmentosamide
CID 139584912
Undeca-2,7,9-trienoic acid isobutylamide
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Cambridge id 5152411
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CID 12007567
1-methyl-N-(5-methylhexan-2-yl)-6-oxopyridine-3-carboxamide
CID 45825162
9,10-Dehydropellitorine
CID 171119155
2,3,4,6-tetrafluoro-4-methyl-N-(3-methylbutan-2-yl)cyclohexa-1,5-diene-1-carboxamide
CID 87633414
N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide
CID 123659516
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CID 144683892

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide (CID 70974374) is 4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide is CC1=CC(C(=O)NC(C)C)=CC(C)C1N.
What is the InChIKey of 4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is HDGUBJCZNKDWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-7(2)14-12(15)10-5-8(3)11(13)9(4)6-10/h5-8,11H,13H2,1-4H3,(H,14,15).
What are the key properties of 4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 70974374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).