1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one

C18H24N2O3 — CID 95589805

IUPAC1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one
SMILESCOc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCNC(=O)CC1
InChIInChI=1S/C18H24N2O3/c1-23-15-5-6-16-13(11-15)3-2-4-14(16)12-18(22)20-9-7-17(21)19-8-10-20/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyYZSHTSFXWLDJNT-CQSZACIVSA-N
MW316.40 g/mol
LogP1.85
Rot. Bonds3

About 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one

1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one (PubChem CID 95589805) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one
PubChem CID95589805
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one
SMILESCOc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCNC(=O)CC1
InChIInChI=1S/C18H24N2O3/c1-23-15-5-6-16-13(11-15)3-2-4-14(16)12-18(22)20-9-7-17(21)19-8-10-20/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyYZSHTSFXWLDJNT-CQSZACIVSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one with MolForge

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Related Compounds

1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 100867766
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120877319
1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973585
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
N-(1-hydroxy-2-methylpropan-2-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 110000682
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide
CID 86839663
2-[6-[2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 69177503
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 47072614
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
CID 25146025
2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid
CID 65069242

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one (CID 95589805) is 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one is COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCNC(=O)CC1.
What is the InChIKey of 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one?
The InChIKey is YZSHTSFXWLDJNT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-15-5-6-16-13(11-15)3-2-4-14(16)12-18(22)20-9-7-17(21)19-8-10-20/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one?
1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one has a molecular weight of 316.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one is sourced from PubChem (CID 95589805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).