N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

C23H27N3O4 — CID 171143376

IUPACN-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCC1COc2ccc(C(=O)N3CCOCC3)cc2CN1C(=O)NCc1ccccc1
InChIInChI=1S/C23H27N3O4/c1-17-16-30-21-8-7-19(22(27)25-9-11-29-12-10-25)13-20(21)15-26(17)23(28)24-14-18-5-3-2-4-6-18/h2-8,13,17H,9-12,14-16H2,1H3,(H,24,28)
InChIKeyYEBBEPGZOIYYNP-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.65
Rot. Bonds3

About N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (PubChem CID 171143376) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
PubChem CID171143376
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCC1COc2ccc(C(=O)N3CCOCC3)cc2CN1C(=O)NCc1ccccc1
InChIInChI=1S/C23H27N3O4/c1-17-16-30-21-8-7-19(22(27)25-9-11-29-12-10-25)13-20(21)15-26(17)23(28)24-14-18-5-3-2-4-6-18/h2-8,13,17H,9-12,14-16H2,1H3,(H,24,28)
InChIKeyYEBBEPGZOIYYNP-UHFFFAOYSA-N
XLogP2.65
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1-[3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one
CID 171143374
[4-(4-ethylphenyl)sulfonyl-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-morpholin-4-ylmethanone
CID 171143379
5-methyl-1-[[3-(morpholine-4-carbonyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122480
2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32726719
6-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42897099
4-[(3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)amino]butanoic acid
CID 122022893
(3S)-N-hydroxy-3-methyl-4-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122437905
4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid
CID 129468648
ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
CID 145404555
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 51935416
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The IUPAC name of N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (CID 171143376) is N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is CC1COc2ccc(C(=O)N3CCOCC3)cc2CN1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The InChIKey is YEBBEPGZOIYYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-17-16-30-21-8-7-19(22(27)25-9-11-29-12-10-25)13-20(21)15-26(17)23(28)24-14-18-5-3-2-4-6-18/h2-8,13,17H,9-12,14-16H2,1H3,(H,24,28).
What are the key properties of N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 171143376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).