1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea

C19H25N3O2 — CID 110903342

IUPAC1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCN(CCNC(=O)NC(CO)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-22(14-16-8-4-2-5-9-16)13-12-20-19(24)21-18(15-23)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3,(H2,20,21,24)
InChIKeyMTXNKZBYJDSDEQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.15
Rot. Bonds8

About 1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 110903342) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID110903342
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCN(CCNC(=O)NC(CO)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-22(14-16-8-4-2-5-9-16)13-12-20-19(24)21-18(15-23)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3,(H2,20,21,24)
InChIKeyMTXNKZBYJDSDEQ-UHFFFAOYSA-N
XLogP2.15
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 122566906
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 61188146
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]butanoic acid
CID 122022193
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-phenylsulfanylpropyl)urea
CID 110005811
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110894926
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111751267
1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea
CID 110894791
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-(2-hydroxy-1-phenylethyl)-3-(2-thiophen-3-ylethyl)urea
CID 110895806
1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933484

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 110903342) is 1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea is CN(CCNC(=O)NC(CO)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is MTXNKZBYJDSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(14-16-8-4-2-5-9-16)13-12-20-19(24)21-18(15-23)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3,(H2,20,21,24).
What are the key properties of 1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 327.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 110903342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).