1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea

C13H21N3O2 — CID 54992248

IUPAC1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)CC(C)CN)c1
InChIInChI=1S/C13H21N3O2/c1-10(8-14)9-16(2)13(17)15-11-5-4-6-12(7-11)18-3/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyRWYUBNJCUAUINA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.75
Rot. Bonds5

About 1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea

1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea (PubChem CID 54992248) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea
PubChem CID54992248
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)CC(C)CN)c1
InChIInChI=1S/C13H21N3O2/c1-10(8-14)9-16(2)13(17)15-11-5-4-6-12(7-11)18-3/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyRWYUBNJCUAUINA-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
1-(4-amino-4-sulfanylidenebutan-2-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 63223281
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
CID 108869157
3-[[3-(2-fluoroethoxy)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086785
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
CID 102874255
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea (CID 54992248) is 1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea is COc1cccc(NC(=O)N(C)CC(C)CN)c1.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea?
The InChIKey is RWYUBNJCUAUINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(8-14)9-16(2)13(17)15-11-5-4-6-12(7-11)18-3/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea?
1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea has a molecular weight of 251.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 54992248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).