1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea

C18H23N3O2 — CID 139712771

IUPAC1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea
SMILESCc1ccccc1OCc1cccc(C)c1NC(=O)NN(C)C
InChIInChI=1S/C18H23N3O2/c1-13-8-5-6-11-16(13)23-12-15-10-7-9-14(2)17(15)19-18(22)20-21(3)4/h5-11H,12H2,1-4H3,(H2,19,20,22)
InChIKeyLLNPVTCSHHEFHY-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.48
Rot. Bonds5

About 1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea

1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea (PubChem CID 139712771) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea
PubChem CID139712771
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea
SMILESCc1ccccc1OCc1cccc(C)c1NC(=O)NN(C)C
InChIInChI=1S/C18H23N3O2/c1-13-8-5-6-11-16(13)23-12-15-10-7-9-14(2)17(15)19-18(22)20-21(3)4/h5-11H,12H2,1-4H3,(H2,19,20,22)
InChIKeyLLNPVTCSHHEFHY-UHFFFAOYSA-N
XLogP3.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate
CID 20667664
3-[2-[(2-methylphenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908599
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
methyl 3-[N-methyl-2-[(2-methylphenoxy)methyl]anilino]-3-sulfanylidenepropanoate
CID 57040757
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-methyl-2-[[2-(phenoxymethyl)phenyl]methoxy]benzene
CID 151703929
2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
CID 104825317
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide
CID 54096799
N-(2-ethyl-6-methylphenyl)-2-phenylmethoxybenzamide
CID 4946399

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea?
The IUPAC name of 1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea (CID 139712771) is 1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea.
What is the SMILES notation for 1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea?
The canonical SMILES for 1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea is Cc1ccccc1OCc1cccc(C)c1NC(=O)NN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea?
The InChIKey is LLNPVTCSHHEFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-8-5-6-11-16(13)23-12-15-10-7-9-14(2)17(15)19-18(22)20-21(3)4/h5-11H,12H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea?
1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea has a molecular weight of 313.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea is sourced from PubChem (CID 139712771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).