3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide

C25H28N2O4 — CID 16813221

IUPAC3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1OC
InChIInChI=1S/C25H28N2O4/c1-29-23-11-10-19(16-24(23)30-2)25(28)26-17-22(27-12-14-31-15-13-27)21-9-5-7-18-6-3-4-8-20(18)21/h3-11,16,22H,12-15,17H2,1-2H3,(H,26,28)
InChIKeyOQPZWGBNHDDEHA-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.66
Rot. Bonds7

About 3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide

3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide (PubChem CID 16813221) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide
PubChem CID16813221
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1OC
InChIInChI=1S/C25H28N2O4/c1-29-23-11-10-19(16-24(23)30-2)25(28)26-17-22(27-12-14-31-15-13-27)21-9-5-7-18-6-3-4-8-20(18)21/h3-11,16,22H,12-15,17H2,1-2H3,(H,26,28)
InChIKeyOQPZWGBNHDDEHA-UHFFFAOYSA-N
XLogP3.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918
4-fluoro-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]benzamide
CID 30834879
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813231
N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813230
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide (CID 16813221) is 3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide is COc1ccc(C(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide?
The InChIKey is OQPZWGBNHDDEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-23-11-10-19(16-24(23)30-2)25(28)26-17-22(27-12-14-31-15-13-27)21-9-5-7-18-6-3-4-8-20(18)21/h3-11,16,22H,12-15,17H2,1-2H3,(H,26,28).
What are the key properties of 3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide?
3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide is sourced from PubChem (CID 16813221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).