1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea

C15H24N2O3 — CID 111113064

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea
SMILESCOCc1cccc(NC(=O)NC(CO)CC(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-11(2)7-14(9-18)17-15(19)16-13-6-4-5-12(8-13)10-20-3/h4-6,8,11,14,18H,7,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyMBMSBTGTWDKQCB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.36
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea

1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea (PubChem CID 111113064) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea
PubChem CID111113064
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea
SMILESCOCc1cccc(NC(=O)NC(CO)CC(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-11(2)7-14(9-18)17-15(19)16-13-6-4-5-12(8-13)10-20-3/h4-6,8,11,14,18H,7,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyMBMSBTGTWDKQCB-UHFFFAOYSA-N
XLogP2.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea with MolForge

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Related Compounds

(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
CID 62709870
4-[[3-(methoxymethyl)phenyl]carbamoylamino]-2-methylbutanoic acid
CID 80541759
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639
2-[[[3-(methoxymethyl)phenyl]carbamoylamino]methyl]-3-methylbutanoic acid
CID 65220954
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218
4-(methoxymethyl)-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31886869
N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927883
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 111424928
(2R)-2-[(3-ethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976235
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
CID 81075773

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea (CID 111113064) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea is COCc1cccc(NC(=O)NC(CO)CC(C)C)c1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea?
The InChIKey is MBMSBTGTWDKQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)7-14(9-18)17-15(19)16-13-6-4-5-12(8-13)10-20-3/h4-6,8,11,14,18H,7,9-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea is sourced from PubChem (CID 111113064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).