N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C16H18N2O2 — CID 141292850

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C)C(NC(=O)C1=C2C=C3CC3=C2C=C1)C(N)=O
InChIInChI=1S/C16H18N2O2/c1-16(2,3)13(14(17)19)18-15(20)10-5-4-9-11-6-8(11)7-12(9)10/h4-5,7,13H,6H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyHVYUBLZTMUCUOF-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.51
Rot. Bonds3

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292850) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292850
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C)C(NC(=O)C1=C2C=C3CC3=C2C=C1)C(N)=O
InChIInChI=1S/C16H18N2O2/c1-16(2,3)13(14(17)19)18-15(20)10-5-4-9-11-6-8(11)7-12(9)10/h4-5,7,13H,6H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyHVYUBLZTMUCUOF-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141347263
N-[(2S)-3,3-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]pentalene-1-carboxamide
CID 159358761
4-amino-2-chloro-N-[(2S)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 70640675
1-(3-ethenylhexa-1,3,5-trienyl)-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]cyclopropane-1-carboxamide
CID 123323791
N-[(2S)-1-(hydroxyamino)-3,3-dimethyl-1-oxobutan-2-yl]pentalene-1-carboxamide
CID 141292883
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)pentalene-1-carboxamide
CID 141292985
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pentalene-1-carboxamide
CID 141292995
N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293079
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293089
N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 144745229
N-[(2S)-1-(azetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 153906396
N-[1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 153906397

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292850) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)(C)C(NC(=O)C1=C2C=C3CC3=C2C=C1)C(N)=O.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is HVYUBLZTMUCUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)13(14(17)19)18-15(20)10-5-4-9-11-6-8(11)7-12(9)10/h4-5,7,13H,6H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 1.51, 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)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).