1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea

C15H25N3O2 — CID 38283609

IUPAC1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
SMILESCOCCN(CCCN(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H25N3O2/c1-17(2)10-7-11-18(12-13-20-3)15(19)16-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,16,19)
InChIKeyVJEDKMDMWNHWNB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.12
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea

1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea (PubChem CID 38283609) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
PubChem CID38283609
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
SMILESCOCCN(CCCN(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H25N3O2/c1-17(2)10-7-11-18(12-13-20-3)15(19)16-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,16,19)
InChIKeyVJEDKMDMWNHWNB-UHFFFAOYSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
3-[bis(2-methoxyethyl)carbamoylamino]-N,N-dimethylbenzamide
CID 48744646
2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 60949486
3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076137
1-ethyl-1-hexyl-3-phenylurea
CID 168918798
2-[butyl(phenylcarbamoyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3460069
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271811
[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
CID 108865269
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea (CID 38283609) is 1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea is COCCN(CCCN(C)C)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea?
The InChIKey is VJEDKMDMWNHWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17(2)10-7-11-18(12-13-20-3)15(19)16-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,16,19).
What are the key properties of 1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea?
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea has a molecular weight of 279.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea is sourced from PubChem (CID 38283609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).