methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate

C21H25N3O5 — CID 47033094

IUPACmethyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H25N3O5/c1-14(2)29-18-10-4-15(5-11-18)12-23-21(27)24-17-8-6-16(7-9-17)20(26)22-13-19(25)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyZWPWQUAMHJMWEU-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.70
Rot. Bonds8

About methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate

methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate (PubChem CID 47033094) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate
PubChem CID47033094
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Namemethyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H25N3O5/c1-14(2)29-18-10-4-15(5-11-18)12-23-21(27)24-17-8-6-16(7-9-17)20(26)22-13-19(25)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyZWPWQUAMHJMWEU-UHFFFAOYSA-N
XLogP2.70
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate 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

4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
methyl 2-[[4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]benzoyl]amino]acetate
CID 47033100
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845211
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
CID 43406999
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42121890

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate (CID 47033094) is methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate?
The InChIKey is ZWPWQUAMHJMWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-14(2)29-18-10-4-15(5-11-18)12-23-21(27)24-17-8-6-16(7-9-17)20(26)22-13-19(25)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H2,23,24,27).
What are the key properties of methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate?
methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate has a molecular weight of 399.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate is sourced from PubChem (CID 47033094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).