1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea

C13H20N2O — CID 115168591

IUPAC1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
SMILESCC(C)c1ccc(CCN(C)C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)12-6-4-11(5-7-12)8-9-15(3)13(14)16/h4-7,10H,8-9H2,1-3H3,(H2,14,16)
InChIKeyKPEFJEKVECJFON-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.36
Rot. Bonds4

About 1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea

1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea (PubChem CID 115168591) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
PubChem CID115168591
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
SMILESCC(C)c1ccc(CCN(C)C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)12-6-4-11(5-7-12)8-9-15(3)13(14)16/h4-7,10H,8-9H2,1-3H3,(H2,14,16)
InChIKeyKPEFJEKVECJFON-UHFFFAOYSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide
CID 115192179
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590
3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 115180822
1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea
CID 115168679
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
CID 166591542
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
N-[2-(4-butan-2-ylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194057
2-(4-butan-2-ylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170394
N,N-diethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 138483696

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea (CID 115168591) is 1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea is CC(C)c1ccc(CCN(C)C(N)=O)cc1.
What is the InChIKey of 1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea?
The InChIKey is KPEFJEKVECJFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)12-6-4-11(5-7-12)8-9-15(3)13(14)16/h4-7,10H,8-9H2,1-3H3,(H2,14,16).
What are the key properties of 1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea?
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea has a molecular weight of 220.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea is sourced from PubChem (CID 115168591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).