(2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide

C20H23ClN2O4 — CID 172955925

IUPAC(2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide
SMILESN/C(=N\OCCO)[C@@H](CC(=O)Cc1ccc(Cl)cc1)Cc1ccc(O)cc1
InChIInChI=1S/C20H23ClN2O4/c21-17-5-1-15(2-6-17)12-19(26)13-16(20(22)23-27-10-9-24)11-14-3-7-18(25)8-4-14/h1-8,16,24-25H,9-13H2,(H2,22,23)/t16-/m1/s1
InChIKeyKPYSBEIQJYBHPD-MRXNPFEDSA-N
MW390.87 g/mol
LogP2.69
Rot. Bonds10

About (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide

(2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide (PubChem CID 172955925) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide.

Molecular Properties

Compound Name(2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide
PubChem CID172955925
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name(2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide
SMILESN/C(=N\OCCO)[C@@H](CC(=O)Cc1ccc(Cl)cc1)Cc1ccc(O)cc1
InChIInChI=1S/C20H23ClN2O4/c21-17-5-1-15(2-6-17)12-19(26)13-16(20(22)23-27-10-9-24)11-14-3-7-18(25)8-4-14/h1-8,16,24-25H,9-13H2,(H2,22,23)/t16-/m1/s1
InChIKeyKPYSBEIQJYBHPD-MRXNPFEDSA-N
XLogP2.69
TPSA105.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide 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

(2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-4-oxo-2-[(4-prop-1-en-2-ylphenyl)methyl]pentanimidamide
CID 172927360
2-[(Z)-[(2R)-1-amino-5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-oxopentylidene]amino]oxyacetic acid
CID 172932321
(2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-oxopentanimidamide;(2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-4-oxo-2-[(4-prop-1-en-2-ylphenyl)methyl]pentanimidamide
CID 172927359
1-[1-amino-3-(4-cyanophenyl)-1-(2-hydroxyethoxyimino)propan-2-yl]-3-(4-chlorophenyl)urea
CID 135238920
1-(4-chlorophenyl)-4-(hydroxymethyl)-5-(4-methoxyphenyl)pentan-2-one
CID 162097105
4-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116609109
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
methyl 2-[(4-hydroxyphenyl)methyl]butanoate
CID 22988421
1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
4-amino-1-(4-hydroxyphenyl)pentan-2-one
CID 116555956
[1-amino-3-[4-(difluoromethoxy)phenyl]-1-(2-hydroxyethoxyimino)propan-2-yl]carbamic acid
CID 150782904
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide?
The IUPAC name of (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide (CID 172955925) is (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide.
What is the SMILES notation for (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide?
The canonical SMILES for (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide is N/C(=N\OCCO)[C@@H](CC(=O)Cc1ccc(Cl)cc1)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide?
The InChIKey is KPYSBEIQJYBHPD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c21-17-5-1-15(2-6-17)12-19(26)13-16(20(22)23-27-10-9-24)11-14-3-7-18(25)8-4-14/h1-8,16,24-25H,9-13H2,(H2,22,23)/t16-/m1/s1.
What are the key properties of (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide?
(2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide has a molecular weight of 390.87 g/mol, XLogP of 2.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(4-chlorophenyl)-N'-(2-hydroxyethoxy)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanimidamide is sourced from PubChem (CID 172955925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).