N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide

C21H27N3O5 — CID 108869808

IUPACN-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide
SMILESCCOc1cc(NC(=O)Nc2cccc(NC(C)=O)c2)cc(OCC)c1OCC
InChIInChI=1S/C21H27N3O5/c1-5-27-18-12-17(13-19(28-6-2)20(18)29-7-3)24-21(26)23-16-10-8-9-15(11-16)22-14(4)25/h8-13H,5-7H2,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyMAKUPKWYDQMPAV-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.49
Rot. Bonds9

About N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide

N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide (PubChem CID 108869808) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide
PubChem CID108869808
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC NameN-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide
SMILESCCOc1cc(NC(=O)Nc2cccc(NC(C)=O)c2)cc(OCC)c1OCC
InChIInChI=1S/C21H27N3O5/c1-5-27-18-12-17(13-19(28-6-2)20(18)29-7-3)24-21(26)23-16-10-8-9-15(11-16)22-14(4)25/h8-13H,5-7H2,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyMAKUPKWYDQMPAV-UHFFFAOYSA-N
XLogP4.49
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610
1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869770
4-[(3,4,5-triethoxyphenyl)carbamoylamino]benzenesulfonic acid
CID 108869615
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
1-(2-nitrophenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869608
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869783
1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869698
1-[(2-methylphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869935
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide (CID 108869808) is N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide is CCOc1cc(NC(=O)Nc2cccc(NC(C)=O)c2)cc(OCC)c1OCC.
What is the InChIKey of N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide?
The InChIKey is MAKUPKWYDQMPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-5-27-18-12-17(13-19(28-6-2)20(18)29-7-3)24-21(26)23-16-10-8-9-15(11-16)22-14(4)25/h8-13H,5-7H2,1-4H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide?
N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 4.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108869808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).