2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide

C15H22N2O3 — CID 110479797

IUPAC2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
SMILESCOc1ccc2c(c1)C(NC(=O)CN(C)C)CCCO2
InChIInChI=1S/C15H22N2O3/c1-17(2)10-15(18)16-13-5-4-8-20-14-7-6-11(19-3)9-12(13)14/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyFCLGCOYASRCXQL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds4

About 2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide

2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide (PubChem CID 110479797) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
PubChem CID110479797
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
SMILESCOc1ccc2c(c1)C(NC(=O)CN(C)C)CCCO2
InChIInChI=1S/C15H22N2O3/c1-17(2)10-15(18)16-13-5-4-8-20-14-7-6-11(19-3)9-12(13)14/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyFCLGCOYASRCXQL-UHFFFAOYSA-N
XLogP1.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479192
N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
CID 110477525
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
N-[(5S)-8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 97161642
7-methoxy-N-prop-2-enyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 119034586
[(1S,2R)-2-[[(5R)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]cyclopentyl]methanol
CID 97063859
2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide
CID 110480046
[(1R,4S)-4-[(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]cyclopent-2-en-1-yl]methanol
CID 86787520
4-[(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4-oxobutanoic acid
CID 110481780
N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
CID 104926727
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide (CID 110479797) is 2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide is COc1ccc2c(c1)C(NC(=O)CN(C)C)CCCO2.
What is the InChIKey of 2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide?
The InChIKey is FCLGCOYASRCXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(2)10-15(18)16-13-5-4-8-20-14-7-6-11(19-3)9-12(13)14/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of 2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide?
2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide is sourced from PubChem (CID 110479797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).