1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea

C16H26N2O3 — CID 111336903

IUPAC1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea
SMILESCC(C)CCOc1cccc(NC(=O)NCCC(C)O)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)8-10-21-15-6-4-5-14(11-15)18-16(20)17-9-7-13(3)19/h4-6,11-13,19H,7-10H2,1-3H3,(H2,17,18,20)
InChIKeyPRHHGBYRMHVALT-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.00
Rot. Bonds8

About 1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea

1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea (PubChem CID 111336903) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea
PubChem CID111336903
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea
SMILESCC(C)CCOc1cccc(NC(=O)NCCC(C)O)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)8-10-21-15-6-4-5-14(11-15)18-16(20)17-9-7-13(3)19/h4-6,11-13,19H,7-10H2,1-3H3,(H2,17,18,20)
InChIKeyPRHHGBYRMHVALT-UHFFFAOYSA-N
XLogP3.00
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea
CID 47392400
2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 112501859
1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
CID 111336733
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
1-[[(4R)-1,3-dioxan-4-yl]methyl]-3-[3-(3-methylbutoxy)phenyl]urea
CID 97252291
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336928
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea (CID 111336903) is 1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea is CC(C)CCOc1cccc(NC(=O)NCCC(C)O)c1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea?
The InChIKey is PRHHGBYRMHVALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)8-10-21-15-6-4-5-14(11-15)18-16(20)17-9-7-13(3)19/h4-6,11-13,19H,7-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea?
1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea has a molecular weight of 294.39 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea is sourced from PubChem (CID 111336903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).