6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

C20H30N2O3 — CID 124733276

IUPAC6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESCOc1cccc2c1CCN(C(=O)NCC[C@H]1CCO[C@@H](C)C1)CC2
InChIInChI=1S/C20H30N2O3/c1-15-14-16(9-13-25-15)6-10-21-20(23)22-11-7-17-4-3-5-19(24-2)18(17)8-12-22/h3-5,15-16H,6-14H2,1-2H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyKRVPJFLFODWPDU-HOTGVXAUSA-N
MW346.47 g/mol
LogP3.01
Rot. Bonds4

About 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (PubChem CID 124733276) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
PubChem CID124733276
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESCOc1cccc2c1CCN(C(=O)NCC[C@H]1CCO[C@@H](C)C1)CC2
InChIInChI=1S/C20H30N2O3/c1-15-14-16(9-13-25-15)6-10-21-20(23)22-11-7-17-4-3-5-19(24-2)18(17)8-12-22/h3-5,15-16H,6-14H2,1-2H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyKRVPJFLFODWPDU-HOTGVXAUSA-N
XLogP3.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-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

N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97349930
N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 99841570
6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129353367
4-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperidine-1-carboxamide
CID 112974982
5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75519799
[4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 166285354
8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 154746108
N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112975029
N-(2-cyclopentylethyl)-2-methylmorpholine-4-carboxamide
CID 78892468
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108888580
N-[(5-cyano-2-fluorophenyl)methyl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75502037
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (CID 124733276) is 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is COc1cccc2c1CCN(C(=O)NCC[C@H]1CCO[C@@H](C)C1)CC2.
What is the InChIKey of 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The InChIKey is KRVPJFLFODWPDU-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-14-16(9-13-25-15)6-10-21-20(23)22-11-7-17-4-3-5-19(24-2)18(17)8-12-22/h3-5,15-16H,6-14H2,1-2H3,(H,21,23)/t15-,16-/m0/s1.
What are the key properties of 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is sourced from PubChem (CID 124733276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).