1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea

C14H22N2O2 — CID 111118152

IUPAC1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
SMILESCc1ccccc1C(NC(=O)NCCO)C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)13(16-14(18)15-8-9-17)12-7-5-4-6-11(12)3/h4-7,10,13,17H,8-9H2,1-3H3,(H2,15,16,18)
InChIKeyHIOLSELAEDVASM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.98
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea

1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea (PubChem CID 111118152) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
PubChem CID111118152
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
SMILESCc1ccccc1C(NC(=O)NCCO)C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)13(16-14(18)15-8-9-17)12-7-5-4-6-11(12)3/h4-7,10,13,17H,8-9H2,1-3H3,(H2,15,16,18)
InChIKeyHIOLSELAEDVASM-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
CID 111506259
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1R)-2-methyl-1-(2-methylphenyl)propyl]urea
CID 95341993
1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea
CID 111414339
N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide
CID 97212613
1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836525
1-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836526
4-[[1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122002394
2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119782792
(2S)-2-hydroxy-4-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 107839041
2-methyl-N-[2-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 95631821
4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119323110
1-[(S)-(2-methylphenyl)-phenylmethyl]-3-propylurea
CID 100748642

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea (CID 111118152) is 1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea is Cc1ccccc1C(NC(=O)NCCO)C(C)C.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea?
The InChIKey is HIOLSELAEDVASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(16-14(18)15-8-9-17)12-7-5-4-6-11(12)3/h4-7,10,13,17H,8-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea?
1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea has a molecular weight of 250.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea is sourced from PubChem (CID 111118152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).