(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

C19H21N3O3 — CID 121278001

IUPAC(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
SMILESCCOc1cccc(NC(=O)c2cccc3c2N[C@H](C)CC(=O)N3)c1
InChIInChI=1S/C19H21N3O3/c1-3-25-14-7-4-6-13(11-14)21-19(24)15-8-5-9-16-18(15)20-12(2)10-17(23)22-16/h4-9,11-12,20H,3,10H2,1-2H3,(H,21,24)(H,22,23)/t12-/m1/s1
InChIKeyDQQDTOYFMUHZAE-GFCCVEGCSA-N
MW339.40 g/mol
LogP3.48
Rot. Bonds4

About (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide (PubChem CID 121278001) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
PubChem CID121278001
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
SMILESCCOc1cccc(NC(=O)c2cccc3c2N[C@H](C)CC(=O)N3)c1
InChIInChI=1S/C19H21N3O3/c1-3-25-14-7-4-6-13(11-14)21-19(24)15-8-5-9-16-18(15)20-12(2)10-17(23)22-16/h4-9,11-12,20H,3,10H2,1-2H3,(H,21,24)(H,22,23)/t12-/m1/s1
InChIKeyDQQDTOYFMUHZAE-GFCCVEGCSA-N
XLogP3.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-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

2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
CID 121278103
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
(2S)-2-methyl-9-[1-(3-propan-2-yloxyanilino)ethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 155073034
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065
N-(3-ethoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237400
N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701603
(3S)-N-(3-ethoxyphenyl)-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 164643291
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
N-(3-ethoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107025835

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
The IUPAC name of (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide (CID 121278001) is (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide.
What is the SMILES notation for (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
The canonical SMILES for (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide is CCOc1cccc(NC(=O)c2cccc3c2N[C@H](C)CC(=O)N3)c1.
What is the InChIKey of (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
The InChIKey is DQQDTOYFMUHZAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-25-14-7-4-6-13(11-14)21-19(24)15-8-5-9-16-18(15)20-12(2)10-17(23)22-16/h4-9,11-12,20H,3,10H2,1-2H3,(H,21,24)(H,22,23)/t12-/m1/s1.
What are the key properties of (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide is sourced from PubChem (CID 121278001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).