3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea

C23H33N3O — CID 52570254

IUPAC3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea
SMILESCCc1ccc(CN(C)C(=O)NCc2ccccc2CN(CC)CC)cc1
InChIInChI=1S/C23H33N3O/c1-5-19-12-14-20(15-13-19)17-25(4)23(27)24-16-21-10-8-9-11-22(21)18-26(6-2)7-3/h8-15H,5-7,16-18H2,1-4H3,(H,24,27)
InChIKeyMBZDHCZFDUPDGN-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.43
Rot. Bonds9

About 3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea

3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea (PubChem CID 52570254) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea
PubChem CID52570254
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea
SMILESCCc1ccc(CN(C)C(=O)NCc2ccccc2CN(CC)CC)cc1
InChIInChI=1S/C23H33N3O/c1-5-19-12-14-20(15-13-19)17-25(4)23(27)24-16-21-10-8-9-11-22(21)18-26(6-2)7-3/h8-15H,5-7,16-18H2,1-4H3,(H,24,27)
InChIKeyMBZDHCZFDUPDGN-UHFFFAOYSA-N
XLogP4.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 35628426
2-[2-[[[ethyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81317762
1-[(4-bromophenyl)methyl]-3-[(2-fluorophenyl)methyl]-1-methylurea
CID 38945216
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
3-benzyl-1-[[4-(diethylamino)phenyl]methyl]-1-methylurea
CID 24664576
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
3-[[2-(diethylaminomethyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 114897128
2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 134022151
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171767
3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea
CID 115192722
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide
CID 60676604

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea (CID 52570254) is 3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea is CCc1ccc(CN(C)C(=O)NCc2ccccc2CN(CC)CC)cc1.
What is the InChIKey of 3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea?
The InChIKey is MBZDHCZFDUPDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-5-19-12-14-20(15-13-19)17-25(4)23(27)24-16-21-10-8-9-11-22(21)18-26(6-2)7-3/h8-15H,5-7,16-18H2,1-4H3,(H,24,27).
What are the key properties of 3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea?
3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea has a molecular weight of 367.54 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea is sourced from PubChem (CID 52570254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).