2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide

C25H28N4O3 — CID 145460884

IUPAC2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide
SMILESNC(C(=O)NCCCCNC(=O)Nc1cccc(O)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O3/c26-25(19-10-3-1-4-11-19,20-12-5-2-6-13-20)23(31)27-16-7-8-17-28-24(32)29-21-14-9-15-22(30)18-21/h1-6,9-15,18,30H,7-8,16-17,26H2,(H,27,31)(H2,28,29,32)
InChIKeyJWIJIIOOJXCHOM-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.31
Rot. Bonds9

About 2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide

2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide (PubChem CID 145460884) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide
PubChem CID145460884
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide
SMILESNC(C(=O)NCCCCNC(=O)Nc1cccc(O)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O3/c26-25(19-10-3-1-4-11-19,20-12-5-2-6-13-20)23(31)27-16-7-8-17-28-24(32)29-21-14-9-15-22(30)18-21/h1-6,9-15,18,30H,7-8,16-17,26H2,(H,27,31)(H2,28,29,32)
InChIKeyJWIJIIOOJXCHOM-UHFFFAOYSA-N
XLogP3.31
TPSA116.48 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
CID 71353515
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea
CID 108894947
1-(6-aminohexyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 107844330
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694
3-(phenylcarbamoylamino)propane-1-sulfonic acid
CID 88585167
1-[2-(2-chlorophenyl)ethyl]-3-(3-hydroxyphenyl)urea
CID 108895923
4-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 28511821
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
3-(pentylcarbamoylamino)benzamide
CID 47033052
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide?
The IUPAC name of 2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide (CID 145460884) is 2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide?
The canonical SMILES for 2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide is NC(C(=O)NCCCCNC(=O)Nc1cccc(O)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide?
The InChIKey is JWIJIIOOJXCHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c26-25(19-10-3-1-4-11-19,20-12-5-2-6-13-20)23(31)27-16-7-8-17-28-24(32)29-21-14-9-15-22(30)18-21/h1-6,9-15,18,30H,7-8,16-17,26H2,(H,27,31)(H2,28,29,32).
What are the key properties of 2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide?
2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide has a molecular weight of 432.52 g/mol, XLogP of 3.31, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide is sourced from PubChem (CID 145460884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).