1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea

C20H27N3O — CID 78886133

IUPAC1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)N(C)C(=O)NCCN(C)c2ccccc2)cc1
InChIInChI=1S/C20H27N3O/c1-16-10-12-18(13-11-16)17(2)23(4)20(24)21-14-15-22(3)19-8-6-5-7-9-19/h5-13,17H,14-15H2,1-4H3,(H,21,24)
InChIKeyOSSUKTQKWSPVLG-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.83
Rot. Bonds6

About 1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea

1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea (PubChem CID 78886133) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea
PubChem CID78886133
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)N(C)C(=O)NCCN(C)c2ccccc2)cc1
InChIInChI=1S/C20H27N3O/c1-16-10-12-18(13-11-16)17(2)23(4)20(24)21-14-15-22(3)19-8-6-5-7-9-19/h5-13,17H,14-15H2,1-4H3,(H,21,24)
InChIKeyOSSUKTQKWSPVLG-UHFFFAOYSA-N
XLogP3.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
CID 43168069
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 132659087
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 134054140
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
5-amino-4-methyl-N-[2-(N-methylanilino)ethyl]pentanamide
CID 82012269
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea (CID 78886133) is 1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea is Cc1ccc(C(C)N(C)C(=O)NCCN(C)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea?
The InChIKey is OSSUKTQKWSPVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16-10-12-18(13-11-16)17(2)23(4)20(24)21-14-15-22(3)19-8-6-5-7-9-19/h5-13,17H,14-15H2,1-4H3,(H,21,24).
What are the key properties of 1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea?
1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea has a molecular weight of 325.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 78886133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).