N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide

C18H21NO2 — CID 10731701

IUPACN-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1Cc2cccc3ccc(OC)c1c23
InChIInChI=1S/C18H21NO2/c1-3-5-16(20)19-11-14-10-13-7-4-6-12-8-9-15(21-2)18(14)17(12)13/h4,6-9,14H,3,5,10-11H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyUKUFESJWXYHERJ-AWEZNQCLSA-N
MW283.37 g/mol
LogP3.40
Rot. Bonds5

About N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide

N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide (PubChem CID 10731701) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide
PubChem CID10731701
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1Cc2cccc3ccc(OC)c1c23
InChIInChI=1S/C18H21NO2/c1-3-5-16(20)19-11-14-10-13-7-4-6-12-8-9-15(21-2)18(14)17(12)13/h4,6-9,14H,3,5,10-11H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyUKUFESJWXYHERJ-AWEZNQCLSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide
CID 10562968
N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]cyclopropanecarboxamide
CID 10637638
1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101310
1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101298
4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
CID 18466214
2-[(1S)-9-methoxy-2,3-dihydro-1H-phenalen-1-yl]acetonitrile
CID 124506949
N-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 10355010
N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide
CID 18466087
3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
CID 72881967
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
CID 46568284
2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 86305141
3-[4-(dimethylamino)phenyl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
CID 72867682

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide?
The IUPAC name of N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide (CID 10731701) is N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide.
What is the SMILES notation for N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide?
The canonical SMILES for N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide is CCCC(=O)NC[C@@H]1Cc2cccc3ccc(OC)c1c23.
What is the InChIKey of N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide?
The InChIKey is UKUFESJWXYHERJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-5-16(20)19-11-14-10-13-7-4-6-12-8-9-15(21-2)18(14)17(12)13/h4,6-9,14H,3,5,10-11H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide?
N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide has a molecular weight of 283.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide is sourced from PubChem (CID 10731701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).