N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide

C25H28N4O3 — CID 67421828

IUPACN-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(CCO)NC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H28N4O3/c26-21-8-4-5-9-23(21)28-24(31)20-12-10-19(11-13-20)22(15-17-30)29-25(32)27-16-14-18-6-2-1-3-7-18/h1-13,22,30H,14-17,26H2,(H,28,31)(H2,27,29,32)
InChIKeyIUYDBYZLMBAJCA-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.49
Rot. Bonds9

About N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide

N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide (PubChem CID 67421828) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide
PubChem CID67421828
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(CCO)NC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H28N4O3/c26-21-8-4-5-9-23(21)28-24(31)20-12-10-19(11-13-20)22(15-17-30)29-25(32)27-16-14-18-6-2-1-3-7-18/h1-13,22,30H,14-17,26H2,(H,28,31)(H2,27,29,32)
InChIKeyIUYDBYZLMBAJCA-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[4-[3-(dimethylamino)-1-(2-phenylethylcarbamoylamino)propyl]benzoyl]amino]phenyl]carbamate
CID 68807797
tert-butyl N-[2-[[4-[4-(dimethylamino)-1-(2-phenylethylcarbamoylamino)butyl]benzoyl]amino]phenyl]carbamate
CID 67422457
1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 25052283
(4-aminophenyl)methyl N-[(1R)-3-hydroxy-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate
CID 59544807
N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide
CID 68808140
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 111455444
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[4-(dimethylamino)-1-[(4-methylphenyl)carbamoylamino]butyl]benzamide
CID 67423457
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N,N'-bis(1-phenylethyl)propanediamide
CID 67122353
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide (CID 67421828) is N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide is Nc1ccccc1NC(=O)c1ccc(C(CCO)NC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide?
The InChIKey is IUYDBYZLMBAJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c26-21-8-4-5-9-23(21)28-24(31)20-12-10-19(11-13-20)22(15-17-30)29-25(32)27-16-14-18-6-2-1-3-7-18/h1-13,22,30H,14-17,26H2,(H,28,31)(H2,27,29,32).
What are the key properties of N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide?
N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.49, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide is sourced from PubChem (CID 67421828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).