3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C25H29NO4 — CID 163231476

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCOCCOCCOc1cc(C(=O)N[C@H](C)c2cccc3ccccc23)ccc1C
InChIInChI=1S/C25H29NO4/c1-18-11-12-21(17-24(18)30-16-15-29-14-13-28-3)25(27)26-19(2)22-10-6-8-20-7-4-5-9-23(20)22/h4-12,17,19H,13-16H2,1-3H3,(H,26,27)/t19-/m1/s1
InChIKeyLCOSTCGIMPMJBD-LJQANCHMSA-N
MW407.51 g/mol
LogP4.68
Rot. Bonds10

About 3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231476) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID163231476
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCOCCOCCOc1cc(C(=O)N[C@H](C)c2cccc3ccccc23)ccc1C
InChIInChI=1S/C25H29NO4/c1-18-11-12-21(17-24(18)30-16-15-29-14-13-28-3)25(27)26-19(2)22-10-6-8-20-7-4-5-9-23(20)22/h4-12,17,19H,13-16H2,1-3H3,(H,26,27)/t19-/m1/s1
InChIKeyLCOSTCGIMPMJBD-LJQANCHMSA-N
XLogP4.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663073
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 55699794
3-(3-hydroxyprop-1-ynyl)-N-(1-naphthalen-1-ylethyl)benzamide
CID 155963043
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 59038441
3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 8579156
4-ethoxy-3-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 133209826
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 163231476) is 3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is COCCOCCOc1cc(C(=O)N[C@H](C)c2cccc3ccccc23)ccc1C.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is LCOSTCGIMPMJBD-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29NO4/c1-18-11-12-21(17-24(18)30-16-15-29-14-13-28-3)25(27)26-19(2)22-10-6-8-20-7-4-5-9-23(20)22/h4-12,17,19H,13-16H2,1-3H3,(H,26,27)/t19-/m1/s1.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 407.51 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).