N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide

C29H34N2O5 — CID 16563652

IUPACN-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C29H34N2O5/c1-6-20-7-9-21(10-8-20)28(19(2)3)31-29(33)22-11-16-25(26(17-22)35-5)36-18-27(32)30-23-12-14-24(34-4)15-13-23/h7-17,19,28H,6,18H2,1-5H3,(H,30,32)(H,31,33)
InChIKeySSRYSXPQLPJUCP-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.41
Rot. Bonds11

About N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide

N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 16563652) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID16563652
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC NameN-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C29H34N2O5/c1-6-20-7-9-21(10-8-20)28(19(2)3)31-29(33)22-11-16-25(26(17-22)35-5)36-18-27(32)30-23-12-14-24(34-4)15-13-23/h7-17,19,28H,6,18H2,1-5H3,(H,30,32)(H,31,33)
InChIKeySSRYSXPQLPJUCP-UHFFFAOYSA-N
XLogP5.41
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide
CID 18276449
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258
[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8818344
4-acetamido-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 22107827
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7671180
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 16552543
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 170889603
3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide
CID 55395267
4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
2-(4-cyano-2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51266936

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide (CID 16563652) is N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide is CCc1ccc(C(NC(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is SSRYSXPQLPJUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-6-20-7-9-21(10-8-20)28(19(2)3)31-29(33)22-11-16-25(26(17-22)35-5)36-18-27(32)30-23-12-14-24(34-4)15-13-23/h7-17,19,28H,6,18H2,1-5H3,(H,30,32)(H,31,33).
What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 490.60 g/mol, XLogP of 5.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 16563652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).