1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea

C14H22N2O3 — CID 110892404

IUPAC1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
SMILESCCC(CO)NC(=O)NCc1ccc(COC)cc1
InChIInChI=1S/C14H22N2O3/c1-3-13(9-17)16-14(18)15-8-11-4-6-12(7-5-11)10-19-2/h4-7,13,17H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyTWDSIFXOTCBYIT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.40
Rot. Bonds7

About 1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea

1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea (PubChem CID 110892404) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
PubChem CID110892404
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
SMILESCCC(CO)NC(=O)NCc1ccc(COC)cc1
InChIInChI=1S/C14H22N2O3/c1-3-13(9-17)16-14(18)15-8-11-4-6-12(7-5-11)10-19-2/h4-7,13,17H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyTWDSIFXOTCBYIT-UHFFFAOYSA-N
XLogP1.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020873
4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020693
1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110922317
1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 110908208
ethyl 4-[(pentan-3-ylcarbamoylamino)methyl]benzoate
CID 108888411
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110910378
1-pentan-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134001787
1-(1-hydroxybutan-2-yl)-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
CID 110904194
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
2-methoxy-N-[4-[[4-(methoxymethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 55697500
1-[2-(4-bromophenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 108902377

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea (CID 110892404) is 1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea is CCC(CO)NC(=O)NCc1ccc(COC)cc1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is TWDSIFXOTCBYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-13(9-17)16-14(18)15-8-11-4-6-12(7-5-11)10-19-2/h4-7,13,17H,3,8-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 266.34 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 110892404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).