1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea

C19H24N2O4 — CID 154785148

IUPAC1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea
SMILESCCCc1cccc(C(C)C)c1NC(=O)NCc1cc(=O)c(O)co1
InChIInChI=1S/C19H24N2O4/c1-4-6-13-7-5-8-15(12(2)3)18(13)21-19(24)20-10-14-9-16(22)17(23)11-25-14/h5,7-9,11-12,23H,4,6,10H2,1-3H3,(H2,20,21,24)
InChIKeyHDTSMFRFCGQPBZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.74
Rot. Bonds6

About 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea

1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea (PubChem CID 154785148) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea.

Molecular Properties

Compound Name1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea
PubChem CID154785148
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea
SMILESCCCc1cccc(C(C)C)c1NC(=O)NCc1cc(=O)c(O)co1
InChIInChI=1S/C19H24N2O4/c1-4-6-13-7-5-8-15(12(2)3)18(13)21-19(24)20-10-14-9-16(22)17(23)11-25-14/h5,7-9,11-12,23H,4,6,10H2,1-3H3,(H2,20,21,24)
InChIKeyHDTSMFRFCGQPBZ-UHFFFAOYSA-N
XLogP3.74
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea
CID 3597757
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
1-[2,6-di(propan-2-yl)phenyl]-3-[(3-iodophenyl)methyl]urea
CID 3677795
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974702
2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline
CID 101126796
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea
CID 3433248
1-[(3-chloro-4-methylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 3821078
methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate
CID 162651561
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 23855015

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea?
The IUPAC name of 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea (CID 154785148) is 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea.
What is the SMILES notation for 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea?
The canonical SMILES for 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea is CCCc1cccc(C(C)C)c1NC(=O)NCc1cc(=O)c(O)co1.
What is the InChIKey of 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea?
The InChIKey is HDTSMFRFCGQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-6-13-7-5-8-15(12(2)3)18(13)21-19(24)20-10-14-9-16(22)17(23)11-25-14/h5,7-9,11-12,23H,4,6,10H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea?
1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea has a molecular weight of 344.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea is sourced from PubChem (CID 154785148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).