1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea

C22H31N3O3 — CID 60597911

IUPAC1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)NCC(c2ccc(C)cc2)N(C)C)c1
InChIInChI=1S/C22H31N3O3/c1-15-7-9-17(10-8-15)20(25(3)4)14-23-22(26)24-16(2)19-13-18(27-5)11-12-21(19)28-6/h7-13,16,20H,14H2,1-6H3,(H2,23,24,26)
InChIKeyZGQIRLJNISKQOC-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.68
Rot. Bonds8

About 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea

1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea (PubChem CID 60597911) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
PubChem CID60597911
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)NCC(c2ccc(C)cc2)N(C)C)c1
InChIInChI=1S/C22H31N3O3/c1-15-7-9-17(10-8-15)20(25(3)4)14-23-22(26)24-16(2)19-13-18(27-5)11-12-21(19)28-6/h7-13,16,20H,14H2,1-6H3,(H2,23,24,26)
InChIKeyZGQIRLJNISKQOC-UHFFFAOYSA-N
XLogP3.68
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 18168183
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 31751278
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94179735
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 45003235
2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]carbamoylamino]propanediamide
CID 94056542
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea (CID 60597911) is 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea is COc1ccc(OC)c(C(C)NC(=O)NCC(c2ccc(C)cc2)N(C)C)c1.
What is the InChIKey of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea?
The InChIKey is ZGQIRLJNISKQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15-7-9-17(10-8-15)20(25(3)4)14-23-22(26)24-16(2)19-13-18(27-5)11-12-21(19)28-6/h7-13,16,20H,14H2,1-6H3,(H2,23,24,26).
What are the key properties of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea?
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea has a molecular weight of 385.51 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 60597911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).