1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea

C14H26N2O3 — CID 110025019

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
SMILESCC(CO)(NC(=O)NCCC1CCCCO1)C1CC1
InChIInChI=1S/C14H26N2O3/c1-14(10-17,11-5-6-11)16-13(18)15-8-7-12-4-2-3-9-19-12/h11-12,17H,2-10H2,1H3,(H2,15,16,18)
InChIKeyZGZXILUUVUJDAP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.41
Rot. Bonds6

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea (PubChem CID 110025019) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
PubChem CID110025019
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
SMILESCC(CO)(NC(=O)NCCC1CCCCO1)C1CC1
InChIInChI=1S/C14H26N2O3/c1-14(10-17,11-5-6-11)16-13(18)15-8-7-12-4-2-3-9-19-12/h11-12,17H,2-10H2,1H3,(H2,15,16,18)
InChIKeyZGZXILUUVUJDAP-UHFFFAOYSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65159046
2-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65158999
1-[2-[(S)-tert-butylsulfinyl]ethyl]-3-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]urea
CID 97054897
3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 54917416
(2S)-2-[2-(oxan-2-yl)ethylcarbamoylamino]butanoic acid
CID 114135764
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 75378759
1-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(3R)-3-methylsulfanylbutyl]urea
CID 97321320
1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 110025016
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489
N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 64555819
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea (CID 110025019) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea is CC(CO)(NC(=O)NCCC1CCCCO1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is ZGZXILUUVUJDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(10-17,11-5-6-11)16-13(18)15-8-7-12-4-2-3-9-19-12/h11-12,17H,2-10H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 270.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 110025019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).