1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea

C19H30N2O3 — CID 124888728

IUPAC1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
SMILESCc1ccc(CC[C@H](C)NC(=O)N[C@H]2CCOC3(CCCC3)C2)o1
InChIInChI=1S/C19H30N2O3/c1-14(5-7-17-8-6-15(2)24-17)20-18(22)21-16-9-12-23-19(13-16)10-3-4-11-19/h6,8,14,16H,3-5,7,9-13H2,1-2H3,(H2,20,21,22)/t14-,16-/m0/s1
InChIKeySOUZPEQBTYYHAE-HOCLYGCPSA-N
MW334.46 g/mol
LogP3.70
Rot. Bonds5

About 1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea

1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea (PubChem CID 124888728) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea.

Molecular Properties

Compound Name1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
PubChem CID124888728
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
SMILESCc1ccc(CC[C@H](C)NC(=O)N[C@H]2CCOC3(CCCC3)C2)o1
InChIInChI=1S/C19H30N2O3/c1-14(5-7-17-8-6-15(2)24-17)20-18(22)21-16-9-12-23-19(13-16)10-3-4-11-19/h6,8,14,16H,3-5,7,9-13H2,1-2H3,(H2,20,21,22)/t14-,16-/m0/s1
InChIKeySOUZPEQBTYYHAE-HOCLYGCPSA-N
XLogP3.70
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769678
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(5S,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234911
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-[(1R)-1-pyridin-4-ylpropyl]urea
CID 97235585
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97235034
1-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(9R)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97234916
1-[(9R)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234996
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234998
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235565
1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124617715
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,9-dioxaspiro[5.5]undecan-4-yl)urea
CID 128676663

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The IUPAC name of 1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea (CID 124888728) is 1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea.
What is the SMILES notation for 1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The canonical SMILES for 1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea is Cc1ccc(CC[C@H](C)NC(=O)N[C@H]2CCOC3(CCCC3)C2)o1.
What is the InChIKey of 1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The InChIKey is SOUZPEQBTYYHAE-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(5-7-17-8-6-15(2)24-17)20-18(22)21-16-9-12-23-19(13-16)10-3-4-11-19/h6,8,14,16H,3-5,7,9-13H2,1-2H3,(H2,20,21,22)/t14-,16-/m0/s1.
What are the key properties of 1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea has a molecular weight of 334.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea is sourced from PubChem (CID 124888728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).