4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C21H27N3O5 — CID 55822287

IUPAC4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O5/c1-13(2)23-21(26)24-16-8-6-15(7-9-16)20(25)22-12-14-10-17(27-3)19(29-5)18(11-14)28-4/h6-11,13H,12H2,1-5H3,(H,22,25)(H2,23,24,26)
InChIKeyJWOGRUSRBOXZSN-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.17
Rot. Bonds8

About 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 55822287) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID55822287
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Name4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O5/c1-13(2)23-21(26)24-16-8-6-15(7-9-16)20(25)22-12-14-10-17(27-3)19(29-5)18(11-14)28-4/h6-11,13H,12H2,1-5H3,(H,22,25)(H2,23,24,26)
InChIKeyJWOGRUSRBOXZSN-UHFFFAOYSA-N
XLogP3.17
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide 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

3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
1-(4-iodophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3547094
3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide
CID 55830520
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 55949411
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
2-[3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246830
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 55822287) is 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is JWOGRUSRBOXZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-13(2)23-21(26)24-16-8-6-15(7-9-16)20(25)22-12-14-10-17(27-3)19(29-5)18(11-14)28-4/h6-11,13H,12H2,1-5H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 401.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 55822287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).