(4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

C20H24N4O4 — CID 59829088

IUPAC(4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
SMILESCONC(=O)N1N=C(c2ccc(N)cc2)c2cc(OC)c(OC)cc2C[C@H]1C
InChIInChI=1S/C20H24N4O4/c1-12-9-14-10-17(26-2)18(27-3)11-16(14)19(13-5-7-15(21)8-6-13)22-24(12)20(25)23-28-4/h5-8,10-12H,9,21H2,1-4H3,(H,23,25)/t12-/m1/s1
InChIKeyFHURTYWYWVHJQL-GFCCVEGCSA-N
MW384.44 g/mol
LogP2.56
Rot. Bonds4

About (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

(4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide (PubChem CID 59829088) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name(4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
PubChem CID59829088
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
SMILESCONC(=O)N1N=C(c2ccc(N)cc2)c2cc(OC)c(OC)cc2C[C@H]1C
InChIInChI=1S/C20H24N4O4/c1-12-9-14-10-17(26-2)18(27-3)11-16(14)19(13-5-7-15(21)8-6-13)22-24(12)20(25)23-28-4/h5-8,10-12H,9,21H2,1-4H3,(H,23,25)/t12-/m1/s1
InChIKeyFHURTYWYWVHJQL-GFCCVEGCSA-N
XLogP2.56
TPSA98.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide 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

1-(4-aminophenyl)-N-cyclopropyl-7,8-dimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 59829109
(4R)-1-(4-aminophenyl)-7,8-dimethoxy-N,N,4-trimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 59829111
(4S)-1-(4-amino-3-methylphenyl)-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 59829051
4-[(4R)-7,8-dimethoxy-4-methyl-3-(methylcarbamoyl)-4,5-dihydro-2,3-benzodiazepin-1-yl]benzoic acid
CID 145066683
4-[(4S)-7,8-dimethoxy-4-methyl-3-(methylcarbamoyl)-4,5-dihydro-2,3-benzodiazepin-1-yl]benzoic acid
CID 145066603
1-[4-(cyclopropylcarbamoyl)phenyl]-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 145066630
7,8-dimethoxy-N,4-dimethyl-1-[4-(2-methylphenyl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 73293792
1-[4-(3-fluoro-5-methylphenyl)phenyl]-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118237305
7,8-dimethoxy-1-[4-(6-methoxy-3-pyridinyl)phenyl]-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 73293607
1-[4-(3-hydroxycyclopentyl)phenyl]-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 126706444
7,8-dimethoxy-N,4-dimethyl-1-[4-(5-methyl-3-pyridinyl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 73294171
(4S)-7,8-dimethoxy-N,4-dimethyl-1-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 86581348

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The IUPAC name of (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide (CID 59829088) is (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide.
What is the SMILES notation for (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The canonical SMILES for (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide is CONC(=O)N1N=C(c2ccc(N)cc2)c2cc(OC)c(OC)cc2C[C@H]1C.
What is the InChIKey of (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The InChIKey is FHURTYWYWVHJQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12-9-14-10-17(26-2)18(27-3)11-16(14)19(13-5-7-15(21)8-6-13)22-24(12)20(25)23-28-4/h5-8,10-12H,9,21H2,1-4H3,(H,23,25)/t12-/m1/s1.
What are the key properties of (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
(4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-aminophenyl)-N,7,8-trimethoxy-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide is sourced from PubChem (CID 59829088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).