1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea

C13H21N3O3 — CID 63765403

IUPAC1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea
SMILESCOCC(N)CN(C)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C13H21N3O3/c1-16(8-10(14)9-18-2)13(17)15-11-4-6-12(19-3)7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyMDLIPQAXESVKMW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.13
Rot. Bonds6

About 1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea

1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea (PubChem CID 63765403) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea
PubChem CID63765403
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea
SMILESCOCC(N)CN(C)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C13H21N3O3/c1-16(8-10(14)9-18-2)13(17)15-11-4-6-12(19-3)7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyMDLIPQAXESVKMW-UHFFFAOYSA-N
XLogP1.13
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(4-methoxyphenyl)-1-methylurea
CID 54991623
1-[(2R)-2-cyanopropyl]-3-(4-methoxyphenyl)-1-methylurea
CID 51957413
1-[(Z)-4-aminobut-2-enyl]-3-(4-methoxyphenyl)-1-methylurea
CID 142437144
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54941815
N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
CID 63753839
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86837352
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide
CID 63760310
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 63761521
N-(2-amino-3-methoxypropyl)-N-methylbenzamide
CID 63753648
1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
CID 55151509

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea (CID 63765403) is 1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea is COCC(N)CN(C)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea?
The InChIKey is MDLIPQAXESVKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-16(8-10(14)9-18-2)13(17)15-11-4-6-12(19-3)7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea?
1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea has a molecular weight of 267.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 63765403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).