N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide

C25H24N2O3 — CID 21425514

IUPACN-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1c(OCc2ccccc2)ccc2c1CCC(N)C2=O
InChIInChI=1S/C25H24N2O3/c1-27(25(29)18-10-6-3-7-11-18)23-19-12-14-21(26)24(28)20(19)13-15-22(23)30-16-17-8-4-2-5-9-17/h2-11,13,15,21H,12,14,16,26H2,1H3
InChIKeyKEIQFDHZCWDQBM-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.00
Rot. Bonds5

About N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide

N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide (PubChem CID 21425514) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide
PubChem CID21425514
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1c(OCc2ccccc2)ccc2c1CCC(N)C2=O
InChIInChI=1S/C25H24N2O3/c1-27(25(29)18-10-6-3-7-11-18)23-19-12-14-21(26)24(28)20(19)13-15-22(23)30-16-17-8-4-2-5-9-17/h2-11,13,15,21H,12,14,16,26H2,1H3
InChIKeyKEIQFDHZCWDQBM-UHFFFAOYSA-N
XLogP4.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride
CID 21425537
7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one
CID 171619861
5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide
CID 13067348
(E)-3-(1-oxo-7-phenylmethoxy-2,3-dihydroinden-4-yl)prop-2-enoic acid
CID 118184951
5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 13286576
5-[benzyl(methyl)amino]-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol;oxalic acid
CID 21425573
3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide
CID 67455707
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 13067471
5-oxo-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylic acid
CID 19841246
[2-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 76808693
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide?
The IUPAC name of N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide (CID 21425514) is N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide.
What is the SMILES notation for N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide?
The canonical SMILES for N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide is CN(C(=O)c1ccccc1)c1c(OCc2ccccc2)ccc2c1CCC(N)C2=O.
What is the InChIKey of N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide?
The InChIKey is KEIQFDHZCWDQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-27(25(29)18-10-6-3-7-11-18)23-19-12-14-21(26)24(28)20(19)13-15-22(23)30-16-17-8-4-2-5-9-17/h2-11,13,15,21H,12,14,16,26H2,1H3.
What are the key properties of N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide?
N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide has a molecular weight of 400.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-N-methylbenzamide is sourced from PubChem (CID 21425514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).