5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one

C22H27NO3 — CID 13286576

IUPAC5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCc1c(OCc2ccccc2)ccc2c1CCC(NC(C)C)C2=O
InChIInChI=1S/C22H27NO3/c1-15(2)23-20-11-9-17-18(22(20)24)10-12-21(19(17)14-25-3)26-13-16-7-5-4-6-8-16/h4-8,10,12,15,20,23H,9,11,13-14H2,1-3H3
InChIKeyVNVKRRJNPBROKO-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.91
Rot. Bonds7

About 5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one

5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 13286576) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID13286576
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCc1c(OCc2ccccc2)ccc2c1CCC(NC(C)C)C2=O
InChIInChI=1S/C22H27NO3/c1-15(2)23-20-11-9-17-18(22(20)24)10-12-21(19(17)14-25-3)26-13-16-7-5-4-6-8-16/h4-8,10,12,15,20,23H,9,11,13-14H2,1-3H3
InChIKeyVNVKRRJNPBROKO-UHFFFAOYSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 85439199
5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13286542
2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84620035
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide
CID 21425514
5-[benzyl(methyl)amino]-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol;oxalic acid
CID 21425573
8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 95561498
6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84627517
[2-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 76808693
(2Z)-2-hydroxyimino-5-(methylsulfonylmethyl)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 88822788
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 86886993
[3-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 58512760

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one (CID 13286576) is 5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one is COCc1c(OCc2ccccc2)ccc2c1CCC(NC(C)C)C2=O.
What is the InChIKey of 5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VNVKRRJNPBROKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-15(2)23-20-11-9-17-18(22(20)24)10-12-21(19(17)14-25-3)26-13-16-7-5-4-6-8-16/h4-8,10,12,15,20,23H,9,11,13-14H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 353.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 13286576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).