N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide

C26H29N3O3 — CID 86878568

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide
SMILESCCCNC(=O)Nc1ccc(CC(=O)NC(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-3-17-27-26(31)28-22-13-9-19(10-14-22)18-24(30)29-25(20-7-5-4-6-8-20)21-11-15-23(32-2)16-12-21/h4-16,25H,3,17-18H2,1-2H3,(H,29,30)(H2,27,28,31)
InChIKeyDBFUKRSVPFIWNG-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.68
Rot. Bonds9

About N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide

N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide (PubChem CID 86878568) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide
PubChem CID86878568
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide
SMILESCCCNC(=O)Nc1ccc(CC(=O)NC(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-3-17-27-26(31)28-22-13-9-19(10-14-22)18-24(30)29-25(20-7-5-4-6-8-20)21-11-15-23(32-2)16-12-21/h4-16,25H,3,17-18H2,1-2H3,(H,29,30)(H2,27,28,31)
InChIKeyDBFUKRSVPFIWNG-UHFFFAOYSA-N
XLogP4.68
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide 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-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 55773754
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8565521
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-(5-hydroxy-3-phenylpentyl)-3-(4-methoxyphenyl)urea
CID 121112426
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea
CID 968636
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide (CID 86878568) is N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide is CCCNC(=O)Nc1ccc(CC(=O)NC(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide?
The InChIKey is DBFUKRSVPFIWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-17-27-26(31)28-22-13-9-19(10-14-22)18-24(30)29-25(20-7-5-4-6-8-20)21-11-15-23(32-2)16-12-21/h4-16,25H,3,17-18H2,1-2H3,(H,29,30)(H2,27,28,31).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide?
N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 86878568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).