1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea

C16H26N2O — CID 47195294

IUPAC1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)10-11-17-15(19)18-14-9-7-6-8-13(14)16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyZJCHJFFPQOJZQZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.15
Rot. Bonds4

About 1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea

1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea (PubChem CID 47195294) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
PubChem CID47195294
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)10-11-17-15(19)18-14-9-7-6-8-13(14)16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyZJCHJFFPQOJZQZ-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840119
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943
1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
CID 47192192
1-(3-hydroxy-4,4-dimethylpentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90523655
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
CID 112517031
1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735
1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 168974121
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea (CID 47195294) is 1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea is CC(C)CCNC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea?
The InChIKey is ZJCHJFFPQOJZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)10-11-17-15(19)18-14-9-7-6-8-13(14)16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea?
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea has a molecular weight of 262.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea is sourced from PubChem (CID 47195294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).