1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea

C16H26N2O4 — CID 110911377

IUPAC1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
SMILESCc1cc(C(C)NC(=O)NCC(O)COCC2CC2)c(C)o1
InChIInChI=1S/C16H26N2O4/c1-10-6-15(12(3)22-10)11(2)18-16(20)17-7-14(19)9-21-8-13-4-5-13/h6,11,13-14,19H,4-5,7-9H2,1-3H3,(H2,17,18,20)
InChIKeyRYEMVCDEELHNDD-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.04
Rot. Bonds8

About 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea

1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea (PubChem CID 110911377) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
PubChem CID110911377
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
SMILESCc1cc(C(C)NC(=O)NCC(O)COCC2CC2)c(C)o1
InChIInChI=1S/C16H26N2O4/c1-10-6-15(12(3)22-10)11(2)18-16(20)17-7-14(19)9-21-8-13-4-5-13/h6,11,13-14,19H,4-5,7-9H2,1-3H3,(H2,17,18,20)
InChIKeyRYEMVCDEELHNDD-UHFFFAOYSA-N
XLogP2.04
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 110911350
1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 110911346
(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81066841
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110908567
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 56820991
1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 95142311
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea
CID 110911367
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 75500633
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505375

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea (CID 110911377) is 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea is Cc1cc(C(C)NC(=O)NCC(O)COCC2CC2)c(C)o1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea?
The InChIKey is RYEMVCDEELHNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-10-6-15(12(3)22-10)11(2)18-16(20)17-7-14(19)9-21-8-13-4-5-13/h6,11,13-14,19H,4-5,7-9H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea?
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea has a molecular weight of 310.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea is sourced from PubChem (CID 110911377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).