1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

C14H22N2O4 — CID 111480872

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCC(O)(CNC(=O)NCCOCC1CC1)c1ccco1
InChIInChI=1S/C14H22N2O4/c1-14(18,12-3-2-7-20-12)10-16-13(17)15-6-8-19-9-11-4-5-11/h2-3,7,11,18H,4-6,8-10H2,1H3,(H2,15,16,17)
InChIKeyDAWSUIAUPIAJHN-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.21
Rot. Bonds8

About 1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (PubChem CID 111480872) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
PubChem CID111480872
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCC(O)(CNC(=O)NCCOCC1CC1)c1ccco1
InChIInChI=1S/C14H22N2O4/c1-14(18,12-3-2-7-20-12)10-16-13(17)15-6-8-19-9-11-4-5-11/h2-3,7,11,18H,4-6,8-10H2,1H3,(H2,15,16,17)
InChIKeyDAWSUIAUPIAJHN-UHFFFAOYSA-N
XLogP1.21
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111479484
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976425
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea
CID 111480757
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 111480769
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111479609

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (CID 111480872) is 1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is CC(O)(CNC(=O)NCCOCC1CC1)c1ccco1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The InChIKey is DAWSUIAUPIAJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(18,12-3-2-7-20-12)10-16-13(17)15-6-8-19-9-11-4-5-11/h2-3,7,11,18H,4-6,8-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea has a molecular weight of 282.34 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 111480872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).