1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea

C15H23ClN2O3 — CID 111452995

IUPAC1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C15H23ClN2O3/c1-4-11(7-8-19)17-15(20)18-12-5-6-14(13(16)9-12)21-10(2)3/h5-6,9-11,19H,4,7-8H2,1-3H3,(H2,17,18,20)
InChIKeyZHZXBTUCPYMPSP-UHFFFAOYSA-N
MW314.81 g/mol
LogP3.41
Rot. Bonds7

About 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea

1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111452995) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea
PubChem CID111452995
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C15H23ClN2O3/c1-4-11(7-8-19)17-15(20)18-12-5-6-14(13(16)9-12)21-10(2)3/h5-6,9-11,19H,4,7-8H2,1-3H3,(H2,17,18,20)
InChIKeyZHZXBTUCPYMPSP-UHFFFAOYSA-N
XLogP3.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111925980
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111475511
3-chloro-N-[(2S)-1-(4-ethylphenyl)-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 173146094
1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111474945
1-(1-hydroxypentan-3-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111453411
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea (CID 111452995) is 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)Nc1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is ZHZXBTUCPYMPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-4-11(7-8-19)17-15(20)18-12-5-6-14(13(16)9-12)21-10(2)3/h5-6,9-11,19H,4,7-8H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea?
1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 314.81 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111452995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).