1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea

C16H26N2O — CID 47195278

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-6-13(7-2)17-16(19)18-15-12(5)9-8-10-14(15)11(3)4/h8-11,13H,6-7H2,1-5H3,(H2,17,18,19)
InChIKeyZMZQECOAHHMFQK-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.43
Rot. Bonds5

About 1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea

1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea (PubChem CID 47195278) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
PubChem CID47195278
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-6-13(7-2)17-16(19)18-15-12(5)9-8-10-14(15)11(3)4/h8-11,13H,6-7H2,1-5H3,(H2,17,18,19)
InChIKeyZMZQECOAHHMFQK-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890372
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3839296
(2S)-4-hydroxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 107825731
3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 81085361
1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 111754312
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea (CID 47195278) is 1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea is CCC(CC)NC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea?
The InChIKey is ZMZQECOAHHMFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-13(7-2)17-16(19)18-15-12(5)9-8-10-14(15)11(3)4/h8-11,13H,6-7H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea?
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea has a molecular weight of 262.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea is sourced from PubChem (CID 47195278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).