1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea

C19H25N3O2 — CID 111335704

IUPAC1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
SMILESCN(CCNC(=O)NCC(C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-19(24,16-9-5-3-6-10-16)15-21-18(23)20-13-14-22(2)17-11-7-4-8-12-17/h3-12,24H,13-15H2,1-2H3,(H2,20,21,23)
InChIKeyGWQKQQGWGTTYPV-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.33
Rot. Bonds7

About 1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea

1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea (PubChem CID 111335704) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
PubChem CID111335704
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
SMILESCN(CCNC(=O)NCC(C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-19(24,16-9-5-3-6-10-16)15-21-18(23)20-13-14-22(2)17-11-7-4-8-12-17/h3-12,24H,13-15H2,1-2H3,(H2,20,21,23)
InChIKeyGWQKQQGWGTTYPV-UHFFFAOYSA-N
XLogP2.33
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61260104
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335646
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334531
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506
1-(2-hydroxy-2-phenylpropyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 111334586
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 98775452
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334518

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea (CID 111335704) is 1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea is CN(CCNC(=O)NCC(C)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea?
The InChIKey is GWQKQQGWGTTYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(24,16-9-5-3-6-10-16)15-21-18(23)20-13-14-22(2)17-11-7-4-8-12-17/h3-12,24H,13-15H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea?
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea has a molecular weight of 327.43 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea is sourced from PubChem (CID 111335704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).