N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide

C15H18N2O2 — CID 141292985

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide
SMILESCC(C)(C)C(NC(=O)C1=C2C=CC=C2C=C1)C(N)=O
InChIInChI=1S/C15H18N2O2/c1-15(2,3)12(13(16)18)17-14(19)11-8-7-9-5-4-6-10(9)11/h4-8,12H,1-3H3,(H2,16,18)(H,17,19)
InChIKeyCYZWGLJGLUSANQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.37
Rot. Bonds3

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide (PubChem CID 141292985) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide
PubChem CID141292985
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide
SMILESCC(C)(C)C(NC(=O)C1=C2C=CC=C2C=C1)C(N)=O
InChIInChI=1S/C15H18N2O2/c1-15(2,3)12(13(16)18)17-14(19)11-8-7-9-5-4-6-10(9)11/h4-8,12H,1-3H3,(H2,16,18)(H,17,19)
InChIKeyCYZWGLJGLUSANQ-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide (CID 141292985) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide is CC(C)(C)C(NC(=O)C1=C2C=CC=C2C=C1)C(N)=O.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide?
The InChIKey is CYZWGLJGLUSANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)12(13(16)18)17-14(19)11-8-7-9-5-4-6-10(9)11/h4-8,12H,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide is sourced from PubChem (CID 141292985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).