(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide

C25H27NO4 — CID 39949823

IUPAC(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C25H27NO4/c1-4-26(16-18-5-10-23-24(13-18)30-12-11-29-23)25(27)17(2)19-6-7-21-15-22(28-3)9-8-20(21)14-19/h5-10,13-15,17H,4,11-12,16H2,1-3H3/t17-/m1/s1
InChIKeyWOZRREOAWSDUAV-QGZVFWFLSA-N
MW405.49 g/mol
LogP4.77
Rot. Bonds6

About (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 39949823) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID39949823
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C25H27NO4/c1-4-26(16-18-5-10-23-24(13-18)30-12-11-29-23)25(27)17(2)19-6-7-21-15-22(28-3)9-8-20(21)14-19/h5-10,13-15,17H,4,11-12,16H2,1-3H3/t17-/m1/s1
InChIKeyWOZRREOAWSDUAV-QGZVFWFLSA-N
XLogP4.77
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 45351967
[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 9011192
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 8752015
2-(6-methoxynaphthalen-2-yl)-N,N-bis(prop-2-enyl)propanamide
CID 73441725
1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol
CID 46962137
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 100694823
N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 119039574
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 55372001
(2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 39948381
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-methoxyphenyl)-1-methylurea
CID 30937905
3-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 41215221

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide (CID 39949823) is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is WOZRREOAWSDUAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27NO4/c1-4-26(16-18-5-10-23-24(13-18)30-12-11-29-23)25(27)17(2)19-6-7-21-15-22(28-3)9-8-20(21)14-19/h5-10,13-15,17H,4,11-12,16H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide?
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 405.49 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 39949823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).