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

C14H23N3O3 — CID 108896807

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCOc1ccc(CNC(=O)NCCN(C)C)cc1OC
InChIInChI=1S/C14H23N3O3/c1-17(2)8-7-15-14(18)16-10-11-5-6-12(19-3)13(9-11)20-4/h5-6,9H,7-8,10H2,1-4H3,(H2,15,16,18)
InChIKeyACWPDEBBZVQKMV-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.06
Rot. Bonds7

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

1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea (PubChem CID 108896807) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea
PubChem CID108896807
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCOc1ccc(CNC(=O)NCCN(C)C)cc1OC
InChIInChI=1S/C14H23N3O3/c1-17(2)8-7-15-14(18)16-10-11-5-6-12(19-3)13(9-11)20-4/h5-6,9H,7-8,10H2,1-4H3,(H2,15,16,18)
InChIKeyACWPDEBBZVQKMV-UHFFFAOYSA-N
XLogP1.06
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960213
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51107745
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methylpentyl)urea
CID 38221992
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(methanesulfonamido)ethyl]urea
CID 38208936
5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38156799
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113160440

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea (CID 108896807) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea is COc1ccc(CNC(=O)NCCN(C)C)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is ACWPDEBBZVQKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-17(2)8-7-15-14(18)16-10-11-5-6-12(19-3)13(9-11)20-4/h5-6,9H,7-8,10H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 281.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 108896807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).