1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea

C16H24N2O3 — CID 111453706

IUPAC1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1ccccc1OCC1CC1
InChIInChI=1S/C16H24N2O3/c1-2-13(9-10-19)17-16(20)18-14-5-3-4-6-15(14)21-11-12-7-8-12/h3-6,12-13,19H,2,7-11H2,1H3,(H2,17,18,20)
InChIKeyYBHPYXOSFGIGOP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.76
Rot. Bonds8

About 1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea

1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111453706) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea
PubChem CID111453706
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1ccccc1OCC1CC1
InChIInChI=1S/C16H24N2O3/c1-2-13(9-10-19)17-16(20)18-14-5-3-4-6-15(14)21-11-12-7-8-12/h3-6,12-13,19H,2,7-11H2,1H3,(H2,17,18,20)
InChIKeyYBHPYXOSFGIGOP-UHFFFAOYSA-N
XLogP2.76
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111453726
1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111475241
1-(1-hydroxypentan-3-yl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475455
N-[2-(cyclopropylmethoxy)phenyl]-2-(dimethylamino)acetamide
CID 91661447
N-[2-(cyclopropylmethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119799501
2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid
CID 63994767
4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085443
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea
CID 95635526
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111453468
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
N-[2-(cyclopropylmethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111453701

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea (CID 111453706) is 1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)Nc1ccccc1OCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is YBHPYXOSFGIGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-13(9-10-19)17-16(20)18-14-5-3-4-6-15(14)21-11-12-7-8-12/h3-6,12-13,19H,2,7-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea?
1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111453706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).