1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea

C14H23N3O3 — CID 94027153

IUPAC1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc([C@H](C)NC(=O)NCCN2CCOCC2)o1
InChIInChI=1S/C14H23N3O3/c1-11-3-4-13(20-11)12(2)16-14(18)15-5-6-17-7-9-19-10-8-17/h3-4,12H,5-10H2,1-2H3,(H2,15,16,18)/t12-/m0/s1
InChIKeyCAOQLDYPPBWCSA-LBPRGKRZSA-N
MW281.36 g/mol
LogP1.28
Rot. Bonds5

About 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea

1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 94027153) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID94027153
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc([C@H](C)NC(=O)NCCN2CCOCC2)o1
InChIInChI=1S/C14H23N3O3/c1-11-3-4-13(20-11)12(2)16-14(18)15-5-6-17-7-9-19-10-8-17/h3-4,12H,5-10H2,1-2H3,(H2,15,16,18)/t12-/m0/s1
InChIKeyCAOQLDYPPBWCSA-LBPRGKRZSA-N
XLogP1.28
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178917
1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide
CID 71895053
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 51077475
1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 95153196
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108871039
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 86993305
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
CID 104686399
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341
4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115292996

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea (CID 94027153) is 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea is Cc1ccc([C@H](C)NC(=O)NCCN2CCOCC2)o1.
What is the InChIKey of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is CAOQLDYPPBWCSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11-3-4-13(20-11)12(2)16-14(18)15-5-6-17-7-9-19-10-8-17/h3-4,12H,5-10H2,1-2H3,(H2,15,16,18)/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 281.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 94027153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).