1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea

C16H26N2O3 — CID 111337153

IUPAC1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(O)CCNC(=O)NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-11(2)21-15-7-5-14(6-8-15)13(4)18-16(20)17-10-9-12(3)19/h5-8,11-13,19H,9-10H2,1-4H3,(H2,17,18,20)
InChIKeySGRNHZYGZKKITF-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.60
Rot. Bonds7

About 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea

1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea (PubChem CID 111337153) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
PubChem CID111337153
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(O)CCNC(=O)NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-11(2)21-15-7-5-14(6-8-15)13(4)18-16(20)17-10-9-12(3)19/h5-8,11-13,19H,9-10H2,1-4H3,(H2,17,18,20)
InChIKeySGRNHZYGZKKITF-UHFFFAOYSA-N
XLogP2.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 110895700
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
1-[(1S)-1-(2-bromo-4-methoxyphenyl)ethyl]-3-(3-hydroxybutyl)urea
CID 75518192
1-(3-methylbutyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880750
2-amino-N-[2-oxo-2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]acetamide
CID 60846458
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
1-(3-hydroxy-4-methylpentyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 111504474
1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 111578950
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea (CID 111337153) is 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea is CC(O)CCNC(=O)NC(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The InChIKey is SGRNHZYGZKKITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)21-15-7-5-14(6-8-15)13(4)18-16(20)17-10-9-12(3)19/h5-8,11-13,19H,9-10H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea has a molecular weight of 294.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea is sourced from PubChem (CID 111337153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).