3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

C32H34N2O4 — CID 70834420

IUPAC3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESCCOc1ccc(C)cc1-c1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c1
InChIInChI=1S/C32H34N2O4/c1-3-37-31-13-11-23(2)21-28(31)24-7-6-8-25(22-24)32(35)33-29-12-14-30(27-10-5-4-9-26(27)29)38-20-17-34-15-18-36-19-16-34/h4-14,21-22H,3,15-20H2,1-2H3,(H,33,35)
InChIKeyBHZAWPHLZZZFQA-UHFFFAOYSA-N
MW510.63 g/mol
LogP6.18
Rot. Bonds9

About 3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (PubChem CID 70834420) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is 3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
PubChem CID70834420
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC Name3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESCCOc1ccc(C)cc1-c1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c1
InChIInChI=1S/C32H34N2O4/c1-3-37-31-13-11-23(2)21-28(31)24-7-6-8-25(22-24)32(35)33-29-12-14-30(27-10-5-4-9-26(27)29)38-20-17-34-15-18-36-19-16-34/h4-14,21-22H,3,15-20H2,1-2H3,(H,33,35)
InChIKeyBHZAWPHLZZZFQA-UHFFFAOYSA-N
XLogP6.18
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
CID 143171320
3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553486
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
CID 59553162
3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553458
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 143171289
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584
4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (CID 70834420) is 3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is CCOc1ccc(C)cc1-c1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c1.
What is the InChIKey of 3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The InChIKey is BHZAWPHLZZZFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-3-37-31-13-11-23(2)21-28(31)24-7-6-8-25(22-24)32(35)33-29-12-14-30(27-10-5-4-9-26(27)29)38-20-17-34-15-18-36-19-16-34/h4-14,21-22H,3,15-20H2,1-2H3,(H,33,35).
What are the key properties of 3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide has a molecular weight of 510.63 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 70834420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).