1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea

C19H25N3O2 — CID 111335646

IUPAC1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCCN(C)c1cccc(NC(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C19H25N3O2/c1-4-22(3)17-12-8-11-16(13-17)21-18(23)20-14-19(2,24)15-9-6-5-7-10-15/h5-13,24H,4,14H2,1-3H3,(H2,20,21,23)
InChIKeyIPOXFGNFYRMFNN-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.17
Rot. Bonds6

About 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea

1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111335646) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111335646
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCCN(C)c1cccc(NC(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C19H25N3O2/c1-4-22(3)17-12-8-11-16(13-17)21-18(23)20-14-19(2,24)15-9-6-5-7-10-15/h5-13,24H,4,14H2,1-3H3,(H2,20,21,23)
InChIKeyIPOXFGNFYRMFNN-UHFFFAOYSA-N
XLogP3.17
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
CID 52887517
3-[[3-(dimethylamino)phenyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428993
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
CID 111335704
1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926234
1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 51135176
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea (CID 111335646) is 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea is CCN(C)c1cccc(NC(=O)NCC(C)(O)c2ccccc2)c1.
What is the InChIKey of 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is IPOXFGNFYRMFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-22(3)17-12-8-11-16(13-17)21-18(23)20-14-19(2,24)15-9-6-5-7-10-15/h5-13,24H,4,14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea?
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 327.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111335646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).