1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea

C16H27N3O2 — CID 111926234

IUPAC1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
SMILESCCN(C)c1cccc(NC(=O)NC(CC)(CC)CO)c1
InChIInChI=1S/C16H27N3O2/c1-5-16(6-2,12-20)18-15(21)17-13-9-8-10-14(11-13)19(4)7-3/h8-11,20H,5-7,12H2,1-4H3,(H2,17,18,21)
InChIKeyUKGLCEGYVMFGDM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.82
Rot. Bonds7

About 1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea

1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea (PubChem CID 111926234) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea.

Molecular Properties

Compound Name1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
PubChem CID111926234
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
SMILESCCN(C)c1cccc(NC(=O)NC(CC)(CC)CO)c1
InChIInChI=1S/C16H27N3O2/c1-5-16(6-2,12-20)18-15(21)17-13-9-8-10-14(11-13)19(4)7-3/h8-11,20H,5-7,12H2,1-4H3,(H2,17,18,21)
InChIKeyUKGLCEGYVMFGDM-UHFFFAOYSA-N
XLogP2.82
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111926405
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
CID 52887517
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335646
1-[3-[ethyl(methyl)amino]phenyl]-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 129378352
1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 51135176
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
CID 47089077
N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325
N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 47089076
1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111111753
N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide
CID 140508292

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The IUPAC name of 1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea (CID 111926234) is 1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea.
What is the SMILES notation for 1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The canonical SMILES for 1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea is CCN(C)c1cccc(NC(=O)NC(CC)(CC)CO)c1.
What is the InChIKey of 1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The InChIKey is UKGLCEGYVMFGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-16(6-2,12-20)18-15(21)17-13-9-8-10-14(11-13)19(4)7-3/h8-11,20H,5-7,12H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea?
1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea has a molecular weight of 293.41 g/mol, XLogP of 2.82, 7 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-[3-(hydroxymethyl)pentan-3-yl]urea is sourced from PubChem (CID 111926234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).