N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide

C20H22N2O2 — CID 87457269

IUPACN-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide
SMILESCc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC=O
InChIInChI=1S/C20H22N2O2/c1-15-12-17(9-10-18(15)13-21-14-23)20(24)22-11-5-4-7-16-6-2-3-8-19(16)22/h2-3,6,8-10,12,14H,4-5,7,11,13H2,1H3,(H,21,23)
InChIKeyHTJDTIMBIURPPU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.22
Rot. Bonds4

About N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide

N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide (PubChem CID 87457269) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide
PubChem CID87457269
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide
SMILESCc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC=O
InChIInChI=1S/C20H22N2O2/c1-15-12-17(9-10-18(15)13-21-14-23)20(24)22-11-5-4-7-16-6-2-3-8-19(16)22/h2-3,6,8-10,12,14H,4-5,7,11,13H2,1H3,(H,21,23)
InChIKeyHTJDTIMBIURPPU-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 15896086
2-methyl-N-[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 18919724
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
2,6-dimethyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzonitrile
CID 21083240
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
4-(3-aminopropyl)-8-fluoro-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 11584727
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-fluoro-2-methylphenyl)methylamino]ethanone
CID 119106847
3,4-dihydro-2H-quinolin-1-yl-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]methanone
CID 7685923

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide?
The IUPAC name of N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide (CID 87457269) is N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide.
What is the SMILES notation for N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide?
The canonical SMILES for N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide is Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC=O.
What is the InChIKey of N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide?
The InChIKey is HTJDTIMBIURPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-12-17(9-10-18(15)13-21-14-23)20(24)22-11-5-4-7-16-6-2-3-8-19(16)22/h2-3,6,8-10,12,14H,4-5,7,11,13H2,1H3,(H,21,23).
What are the key properties of N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide?
N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide has a molecular weight of 322.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide is sourced from PubChem (CID 87457269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).