2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide

C11H18N2O — CID 91026529

IUPAC2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide
SMILESCC1=CC(C)=C(CC(N)C(N)=O)CC1
InChIInChI=1S/C11H18N2O/c1-7-3-4-9(8(2)5-7)6-10(12)11(13)14/h5,10H,3-4,6,12H2,1-2H3,(H2,13,14)
InChIKeyQPPVUEFDFGKVBZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide

2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide (PubChem CID 91026529) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide
PubChem CID91026529
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide
SMILESCC1=CC(C)=C(CC(N)C(N)=O)CC1
InChIInChI=1S/C11H18N2O/c1-7-3-4-9(8(2)5-7)6-10(12)11(13)14/h5,10H,3-4,6,12H2,1-2H3,(H2,13,14)
InChIKeyQPPVUEFDFGKVBZ-UHFFFAOYSA-N
XLogP1.25
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide?
The IUPAC name of 2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide (CID 91026529) is 2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide.
What is the SMILES notation for 2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide?
The canonical SMILES for 2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide is CC1=CC(C)=C(CC(N)C(N)=O)CC1.
What is the InChIKey of 2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide?
The InChIKey is QPPVUEFDFGKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-3-4-9(8(2)5-7)6-10(12)11(13)14/h5,10H,3-4,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide?
2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide has a molecular weight of 194.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dimethylcyclohexa-1,3-dien-1-yl)propanamide is sourced from PubChem (CID 91026529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).