N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide

C19H23N3O3 — CID 56826961

IUPACN-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C19H23N3O3/c1-14(24)22(2)12-15-7-6-10-17(11-15)20-19(25)21-18(13-23)16-8-4-3-5-9-16/h3-11,18,23H,12-13H2,1-2H3,(H2,20,21,25)/t18-/m1/s1
InChIKeyOOPBZOKUZRELIF-GOSISDBHSA-N
MW341.41 g/mol
LogP2.52
Rot. Bonds6

About N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide

N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide (PubChem CID 56826961) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
PubChem CID56826961
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C19H23N3O3/c1-14(24)22(2)12-15-7-6-10-17(11-15)20-19(25)21-18(13-23)16-8-4-3-5-9-16/h3-11,18,23H,12-13H2,1-2H3,(H2,20,21,25)/t18-/m1/s1
InChIKeyOOPBZOKUZRELIF-GOSISDBHSA-N
XLogP2.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide 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

N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
CID 47202792
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
CID 86931913
1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 87003591
N-[[3-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 95768857
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 47202599
1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 72688028
2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
CID 79345177
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-bromo-3-methylbutanamide
CID 43699889
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide (CID 56826961) is N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cccc(NC(=O)N[C@H](CO)c2ccccc2)c1.
What is the InChIKey of N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide?
The InChIKey is OOPBZOKUZRELIF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(24)22(2)12-15-7-6-10-17(11-15)20-19(25)21-18(13-23)16-8-4-3-5-9-16/h3-11,18,23H,12-13H2,1-2H3,(H2,20,21,25)/t18-/m1/s1.
What are the key properties of N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide?
N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide has a molecular weight of 341.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 56826961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).