1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide

C19H23N3O — CID 91911956

IUPAC1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCN(C)c3ccccc32)cc1
InChIInChI=1S/C19H23N3O/c1-15-8-10-16(11-9-15)14-20-19(23)22-13-5-12-21(2)17-6-3-4-7-18(17)22/h3-4,6-11H,5,12-14H2,1-2H3,(H,20,23)
InChIKeyJZXNJRJMHWVUGJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.55
Rot. Bonds2

About 1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide

1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide (PubChem CID 91911956) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide
PubChem CID91911956
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCN(C)c3ccccc32)cc1
InChIInChI=1S/C19H23N3O/c1-15-8-10-16(11-9-15)14-20-19(23)22-13-5-12-21(2)17-6-3-4-7-18(17)22/h3-4,6-11H,5,12-14H2,1-2H3,(H,20,23)
InChIKeyJZXNJRJMHWVUGJ-UHFFFAOYSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
4-methyl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110747567
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 116656087
N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 110355201
4-N-[(4-methylphenyl)methyl]-1-N,1-N-diphenyl-1,4-diazepane-1,4-dicarboxamide
CID 23986695
N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154782506
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
CID 110876555
2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid
CID 66166560
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 109148161

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide (CID 91911956) is 1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide is Cc1ccc(CNC(=O)N2CCCN(C)c3ccccc32)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide?
The InChIKey is JZXNJRJMHWVUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-8-10-16(11-9-15)14-20-19(23)22-13-5-12-21(2)17-6-3-4-7-18(17)22/h3-4,6-11H,5,12-14H2,1-2H3,(H,20,23).
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide?
1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide is sourced from PubChem (CID 91911956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).