N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide

C21H25N5O2 — CID 92902798

IUPACN-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide
SMILESCC[C@@H](C)NC(=O)Cn1c2c(c(=O)n3nc(-c4ccc(C)cc4)nc13)CCC2
InChIInChI=1S/C21H25N5O2/c1-4-14(3)22-18(27)12-25-17-7-5-6-16(17)20(28)26-21(25)23-19(24-26)15-10-8-13(2)9-11-15/h8-11,14H,4-7,12H2,1-3H3,(H,22,27)/t14-/m1/s1
InChIKeyGRTMNBHTYBTACR-CQSZACIVSA-N
MW379.46 g/mol
LogP2.27
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide

N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide (PubChem CID 92902798) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide
PubChem CID92902798
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide
SMILESCC[C@@H](C)NC(=O)Cn1c2c(c(=O)n3nc(-c4ccc(C)cc4)nc13)CCC2
InChIInChI=1S/C21H25N5O2/c1-4-14(3)22-18(27)12-25-17-7-5-6-16(17)20(28)26-21(25)23-19(24-26)15-10-8-13(2)9-11-15/h8-11,14H,4-7,12H2,1-3H3,(H,22,27)/t14-/m1/s1
InChIKeyGRTMNBHTYBTACR-CQSZACIVSA-N
XLogP2.27
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-oxo-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-propan-2-ylacetamide
CID 50753879
N-(4-methylphenyl)-2-(2-oxo-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide
CID 50754030
N-(2-methylpropyl)-2-(2-oxo-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide
CID 50754031
2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide
CID 92902789
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-butan-2-yl]acetamide
CID 95062302
N-[(2S)-butan-2-yl]-3-(5-methyl-7-oxo-2-phenyl-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 92736795
N-[(2S)-butan-2-yl]-4-(4-methylphenyl)-7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-10-carboxamide
CID 95996408
N-butan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 3136365
2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 178132288
2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53048732
2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95062305
N-butan-2-yl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide
CID 18195218

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide (CID 92902798) is N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide is CC[C@@H](C)NC(=O)Cn1c2c(c(=O)n3nc(-c4ccc(C)cc4)nc13)CCC2.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide?
The InChIKey is GRTMNBHTYBTACR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-14(3)22-18(27)12-25-17-7-5-6-16(17)20(28)26-21(25)23-19(24-26)15-10-8-13(2)9-11-15/h8-11,14H,4-7,12H2,1-3H3,(H,22,27)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide?
N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide is sourced from PubChem (CID 92902798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).