6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide

C20H23N3O — CID 131654480

IUPAC6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
SMILESCc1ccccc1CN1CC2CN(C(=O)Nc3ccccc3)CC21
InChIInChI=1S/C20H23N3O/c1-15-7-5-6-8-16(15)11-22-12-17-13-23(14-19(17)22)20(24)21-18-9-3-2-4-10-18/h2-10,17,19H,11-14H2,1H3,(H,21,24)
InChIKeyNBHPFSUAVZIGRN-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.34
Rot. Bonds3

About 6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide

6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 131654480) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID131654480
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
SMILESCc1ccccc1CN1CC2CN(C(=O)Nc3ccccc3)CC21
InChIInChI=1S/C20H23N3O/c1-15-7-5-6-8-16(15)11-22-12-17-13-23(14-19(17)22)20(24)21-18-9-3-2-4-10-18/h2-10,17,19H,11-14H2,1H3,(H,21,24)
InChIKeyNBHPFSUAVZIGRN-UHFFFAOYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
CID 134076388
4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637840
3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide
CID 71977787
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
3-(diethylamino)-N-phenylazetidine-1-carboxamide
CID 23140628
4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094017
3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334225
N-[(2-methylphenyl)methyl]-N'-phenyloxamide
CID 2174485
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001
2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 79371567
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of 6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide (CID 131654480) is 6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for 6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for 6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide is Cc1ccccc1CN1CC2CN(C(=O)Nc3ccccc3)CC21.
What is the InChIKey of 6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is NBHPFSUAVZIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-7-5-6-8-16(15)11-22-12-17-13-23(14-19(17)22)20(24)21-18-9-3-2-4-10-18/h2-10,17,19H,11-14H2,1H3,(H,21,24).
What are the key properties of 6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide?
6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 131654480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).