1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

C25H31N3O2 — CID 57311235

IUPAC1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2ccccc21
InChIInChI=1S/C25H31N3O2/c1-27-14-11-21(17-20-5-3-4-6-24(20)27)25(29)26-22-9-7-19(8-10-22)18-28(2)23-12-15-30-16-13-23/h3-10,17,23H,11-16,18H2,1-2H3,(H,26,29)
InChIKeyYNHWULNQESINHJ-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.16
Rot. Bonds5

About 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide (PubChem CID 57311235) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
PubChem CID57311235
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2ccccc21
InChIInChI=1S/C25H31N3O2/c1-27-14-11-21(17-20-5-3-4-6-24(20)27)25(29)26-22-9-7-19(8-10-22)18-28(2)23-12-15-30-16-13-23/h3-10,17,23H,11-16,18H2,1-2H3,(H,26,29)
InChIKeyYNHWULNQESINHJ-UHFFFAOYSA-N
XLogP4.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-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

7-(4-ethylphenyl)-1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
CID 18472525
1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide
CID 3009401
1-formyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide
CID 18472670
(5E)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-3-(4-methylphenyl)-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxamide
CID 142820571
7-(4-ethylphenyl)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide
CID 18472194
1-(3-methylbutyl)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
CID 22329141
7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide
CID 3009409
1-formyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
CID 87979040
benzhydryl 4-[6-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]carbamoyl]-8,9-dihydro-7H-benzo[7]annulen-3-yl]benzoate
CID 22616367
(5E)-8-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxamide
CID 10233302
N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-(4-propoxyphenyl)-2,3-dihydro-1lambda6-benzothiepine-4-carboxamide
CID 3009392
7-[(4-ethoxyphenyl)methoxy]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1λ6-benzothiepine-4-carboxamide
CID 22990004

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide (CID 57311235) is 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide is CN1CCC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2ccccc21.
What is the InChIKey of 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide?
The InChIKey is YNHWULNQESINHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-27-14-11-21(17-20-5-3-4-6-24(20)27)25(29)26-22-9-7-19(8-10-22)18-28(2)23-12-15-30-16-13-23/h3-10,17,23H,11-16,18H2,1-2H3,(H,26,29).
What are the key properties of 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide?
1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide is sourced from PubChem (CID 57311235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).