1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea

C13H21N3O2 — CID 63225235

IUPAC1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea
SMILESCOc1ccccc1NC(=O)N(C)C(C)CCN
InChIInChI=1S/C13H21N3O2/c1-10(8-9-14)16(2)13(17)15-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyOMIJCEJXLWLPTC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.90
Rot. Bonds5

About 1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea

1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea (PubChem CID 63225235) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea
PubChem CID63225235
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea
SMILESCOc1ccccc1NC(=O)N(C)C(C)CCN
InChIInChI=1S/C13H21N3O2/c1-10(8-9-14)16(2)13(17)15-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyOMIJCEJXLWLPTC-UHFFFAOYSA-N
XLogP1.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
CID 52503085
2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 112516204
1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea
CID 63766734
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
1-(4-aminobutan-2-yl)-1-methyl-3-(3-methylphenyl)urea
CID 55174910
2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82179913
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 81496851
ethane;(2-methoxyphenyl)urea
CID 143063924
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea (CID 63225235) is 1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea is COc1ccccc1NC(=O)N(C)C(C)CCN.
What is the InChIKey of 1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea?
The InChIKey is OMIJCEJXLWLPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(8-9-14)16(2)13(17)15-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea?
1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea has a molecular weight of 251.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 63225235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).