2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide

C26H28N4O5 — CID 70105821

IUPAC2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide
SMILESCOc1cc(C(C)=O)c(C(C)(C(N)=O)c2ccc(NC(=O)Nc3cccc(N)c3)cc2)cc1OC
InChIInChI=1S/C26H28N4O5/c1-15(31)20-13-22(34-3)23(35-4)14-21(20)26(2,24(28)32)16-8-10-18(11-9-16)29-25(33)30-19-7-5-6-17(27)12-19/h5-14H,27H2,1-4H3,(H2,28,32)(H2,29,30,33)
InChIKeyYQIQWLSBEULAJH-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.92
Rot. Bonds8

About 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide

2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide (PubChem CID 70105821) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide
PubChem CID70105821
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide
SMILESCOc1cc(C(C)=O)c(C(C)(C(N)=O)c2ccc(NC(=O)Nc3cccc(N)c3)cc2)cc1OC
InChIInChI=1S/C26H28N4O5/c1-15(31)20-13-22(34-3)23(35-4)14-21(20)26(2,24(28)32)16-8-10-18(11-9-16)29-25(33)30-19-7-5-6-17(27)12-19/h5-14H,27H2,1-4H3,(H2,28,32)(H2,29,30,33)
InChIKeyYQIQWLSBEULAJH-UHFFFAOYSA-N
XLogP3.92
TPSA145.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[1-amino-2-[4-[(4-aminophenyl)carbamoylamino]phenyl]-1-oxopropan-2-yl]-4,5-dimethoxybenzoate
CID 70104923
2-(2-acetyl-4,5-dimethoxyphenyl)-3-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide
CID 70105819
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
2-(2-acetyl-4,5-dimethoxyphenyl)-3-[2-[(4-aminophenyl)carbamoylamino]phenyl]propanamide
CID 70106960
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10110546
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
CID 61168074
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide?
The IUPAC name of 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide (CID 70105821) is 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide.
What is the SMILES notation for 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide?
The canonical SMILES for 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide is COc1cc(C(C)=O)c(C(C)(C(N)=O)c2ccc(NC(=O)Nc3cccc(N)c3)cc2)cc1OC.
What is the InChIKey of 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide?
The InChIKey is YQIQWLSBEULAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-15(31)20-13-22(34-3)23(35-4)14-21(20)26(2,24(28)32)16-8-10-18(11-9-16)29-25(33)30-19-7-5-6-17(27)12-19/h5-14H,27H2,1-4H3,(H2,28,32)(H2,29,30,33).
What are the key properties of 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide?
2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide has a molecular weight of 476.53 g/mol, XLogP of 3.92, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(3-aminophenyl)carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 70105821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).