N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide

C22H23N3O3 — CID 127405935

IUPACN-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(C(=O)N2C3CCC2CC(=O)NC3)c1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-24(17-8-3-2-4-9-17)21(27)15-6-5-7-16(12-15)22(28)25-18-10-11-19(25)14-23-20(26)13-18/h2-9,12,18-19H,10-11,13-14H2,1H3,(H,23,26)
InChIKeyUGMYJBRNWNWRLO-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.46
Rot. Bonds3

About N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide

N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide (PubChem CID 127405935) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide
PubChem CID127405935
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(C(=O)N2C3CCC2CC(=O)NC3)c1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-24(17-8-3-2-4-9-17)21(27)15-6-5-7-16(12-15)22(28)25-18-10-11-19(25)14-23-20(26)13-18/h2-9,12,18-19H,10-11,13-14H2,1H3,(H,23,26)
InChIKeyUGMYJBRNWNWRLO-UHFFFAOYSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Dehydrocyclopeptine
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3-N-[(1R,3S,4S)-3-amino-1-[(4-fluorophenyl)carbamoyl]-1,6-dimethylheptan-4-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
CID 11512035
(3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
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N-(2-(azepane-1-carbonyl)phenyl)-4-methylbenzamide
CID 1842616
2-phenyl-N-[4-(1-pyrrolidinylcarbonyl)phenyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide?
The IUPAC name of N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide (CID 127405935) is N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide.
What is the SMILES notation for N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide?
The canonical SMILES for N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide is CN(C(=O)c1cccc(C(=O)N2C3CCC2CC(=O)NC3)c1)c1ccccc1.
What is the InChIKey of N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide?
The InChIKey is UGMYJBRNWNWRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24(17-8-3-2-4-9-17)21(27)15-6-5-7-16(12-15)22(28)25-18-10-11-19(25)14-23-20(26)13-18/h2-9,12,18-19H,10-11,13-14H2,1H3,(H,23,26).
What are the key properties of N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide?
N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide has a molecular weight of 377.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide is sourced from PubChem (CID 127405935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).