N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide

C18H22N2O3 — CID 168593137

IUPACN-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NCC(O)CO)c1
InChIInChI=1S/C18H22N2O3/c21-13-17(22)12-19-15-7-4-8-16(11-15)20-18(23)10-9-14-5-2-1-3-6-14/h1-8,11,17,19,21-22H,9-10,12-13H2,(H,20,23)
InChIKeyYFCPFLQDNKLXBN-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.02
Rot. Bonds8

About N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide

N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide (PubChem CID 168593137) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide
PubChem CID168593137
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NCC(O)CO)c1
InChIInChI=1S/C18H22N2O3/c21-13-17(22)12-19-15-7-4-8-16(11-15)20-18(23)10-9-14-5-2-1-3-6-14/h1-8,11,17,19,21-22H,9-10,12-13H2,(H,20,23)
InChIKeyYFCPFLQDNKLXBN-UHFFFAOYSA-N
XLogP2.02
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide 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-(2,3-dihydroxypropylamino)phenyl]urea
CID 23202913
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17223129
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837342

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide (CID 168593137) is N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc(NCC(O)CO)c1.
What is the InChIKey of N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide?
The InChIKey is YFCPFLQDNKLXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-13-17(22)12-19-15-7-4-8-16(11-15)20-18(23)10-9-14-5-2-1-3-6-14/h1-8,11,17,19,21-22H,9-10,12-13H2,(H,20,23).
What are the key properties of N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide?
N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide has a molecular weight of 314.38 g/mol, XLogP of 2.02, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 168593137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).