3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide

C24H25N3O2 — CID 146068294

IUPAC3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCc3nc(-c4ccccc4)[nH]c(=O)c3CC2)c1
InChIInChI=1S/C24H25N3O2/c1-16-6-5-9-19(14-16)23(28)25-15-17-10-12-20-21(13-11-17)26-22(27-24(20)29)18-7-3-2-4-8-18/h2-9,14,17H,10-13,15H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyVIXGKPVXQMOCDT-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.67
Rot. Bonds4

About 3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide

3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide (PubChem CID 146068294) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide
PubChem CID146068294
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCc3nc(-c4ccccc4)[nH]c(=O)c3CC2)c1
InChIInChI=1S/C24H25N3O2/c1-16-6-5-9-19(14-16)23(28)25-15-17-10-12-20-21(13-11-17)26-22(27-24(20)29)18-7-3-2-4-8-18/h2-9,14,17H,10-13,15H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyVIXGKPVXQMOCDT-UHFFFAOYSA-N
XLogP3.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide
CID 146066335
4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide
CID 146066321
N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide
CID 146066311
N-[[2-(4-fluorophenyl)-4-oxo-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl]methyl]-6-methylpyridine-3-carboxamide
CID 146066370
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 108922106
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871127
tert-butyl (3R)-3-[[(3-methylbenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 99854116
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide?
The IUPAC name of 3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide (CID 146068294) is 3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide?
The canonical SMILES for 3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide is Cc1cccc(C(=O)NCC2CCc3nc(-c4ccccc4)[nH]c(=O)c3CC2)c1.
What is the InChIKey of 3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide?
The InChIKey is VIXGKPVXQMOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16-6-5-9-19(14-16)23(28)25-15-17-10-12-20-21(13-11-17)26-22(27-24(20)29)18-7-3-2-4-8-18/h2-9,14,17H,10-13,15H2,1H3,(H,25,28)(H,26,27,29).
What are the key properties of 3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide?
3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide is sourced from PubChem (CID 146068294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).