2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide

C32H40N4O5 — CID 20737947

IUPAC2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1cc(CC(=O)N(CCOc2ccc(C)cc2)CCN2CCOCC2)ccc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C32H40N4O5/c1-24-8-11-27(12-9-24)41-21-18-36(15-14-35-16-19-40-20-17-35)31(37)23-26-10-13-29(30(22-26)39-3)34-32(38)33-28-7-5-4-6-25(28)2/h4-13,22H,14-21,23H2,1-3H3,(H2,33,34,38)
InChIKeyGIFRIFCVKZYYCM-UHFFFAOYSA-N
MW560.70 g/mol
LogP4.74
Rot. Bonds12

About 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide

2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 20737947) has the molecular formula C32H40N4O5 and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID20737947
Molecular FormulaC32H40N4O5
Molecular Weight560.70 g/mol
Exact Mass560.30
IUPAC Name2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1cc(CC(=O)N(CCOc2ccc(C)cc2)CCN2CCOCC2)ccc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C32H40N4O5/c1-24-8-11-27(12-9-24)41-21-18-36(15-14-35-16-19-40-20-17-35)31(37)23-26-10-13-29(30(22-26)39-3)34-32(38)33-28-7-5-4-6-25(28)2/h4-13,22H,14-21,23H2,1-3H3,(H2,33,34,38)
InChIKeyGIFRIFCVKZYYCM-UHFFFAOYSA-N
XLogP4.74
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.70
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[2-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-(2-morpholin-4-ylethyl)amino]ethoxy]benzoic acid
CID 20738273
4-[2-[cyclohexyl-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]ethoxy]benzoic acid
CID 20738315
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568
4-[2-[cyclopropyl-[2-[3-methoxy-4-[[(Z)-1-(2-methylanilino)hex-1-enyl]amino]phenyl]acetyl]amino]ethoxy]benzoic acid
CID 142036552
4-[2-[[4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-methylidene-3-oxobutyl]amino]ethoxy]benzoic acid
CID 69333049
4-[4-[1-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]ethyl]piperidin-1-yl]butanoic acid
CID 70088694
4-[[3-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-1,3-thiazolidin-4-yl]methoxy]benzoic acid
CID 23512093
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42723901
1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea
CID 141036377
2-[1-[2-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-methylamino]acetyl]piperidin-4-yl]acetic acid
CID 20737913

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide (CID 20737947) is 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide is COc1cc(CC(=O)N(CCOc2ccc(C)cc2)CCN2CCOCC2)ccc1NC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is GIFRIFCVKZYYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O5/c1-24-8-11-27(12-9-24)41-21-18-36(15-14-35-16-19-40-20-17-35)31(37)23-26-10-13-29(30(22-26)39-3)34-32(38)33-28-7-5-4-6-25(28)2/h4-13,22H,14-21,23H2,1-3H3,(H2,33,34,38).
What are the key properties of 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 560.70 g/mol, XLogP of 4.74, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 20737947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).