1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea

C16H26N2O — CID 102916197

IUPAC1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
SMILESCc1cccc(NC(=O)NCC(C(C)C)C(C)C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)15(12(3)4)10-17-16(19)18-14-8-6-7-13(5)9-14/h6-9,11-12,15H,10H2,1-5H3,(H2,17,18,19)
InChIKeyMPIKNMDTCGDDIC-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.04
Rot. Bonds5

About 1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea

1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea (PubChem CID 102916197) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
PubChem CID102916197
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
SMILESCc1cccc(NC(=O)NCC(C(C)C)C(C)C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)15(12(3)4)10-17-16(19)18-14-8-6-7-13(5)9-14/h6-9,11-12,15H,10H2,1-5H3,(H2,17,18,19)
InChIKeyMPIKNMDTCGDDIC-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
CID 111444676
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
2-[[(3-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 65217917
4,4-dimethyl-2-[[(3-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 107473750
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
CID 90496950
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea (CID 102916197) is 1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea is Cc1cccc(NC(=O)NCC(C(C)C)C(C)C)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea?
The InChIKey is MPIKNMDTCGDDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)15(12(3)4)10-17-16(19)18-14-8-6-7-13(5)9-14/h6-9,11-12,15H,10H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea?
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea has a molecular weight of 262.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea is sourced from PubChem (CID 102916197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).