1-(3-amino-4-methoxybutyl)-3-benzylurea

C13H21N3O2 — CID 106243722

IUPAC1-(3-amino-4-methoxybutyl)-3-benzylurea
SMILESCOCC(N)CCNC(=O)NCc1ccccc1
InChIInChI=1S/C13H21N3O2/c1-18-10-12(14)7-8-15-13(17)16-9-11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3,(H2,15,16,17)
InChIKeyAWRAKXIATWVOIE-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.85
Rot. Bonds7

About 1-(3-amino-4-methoxybutyl)-3-benzylurea

1-(3-amino-4-methoxybutyl)-3-benzylurea (PubChem CID 106243722) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-amino-4-methoxybutyl)-3-benzylurea.

Molecular Properties

Compound Name1-(3-amino-4-methoxybutyl)-3-benzylurea
PubChem CID106243722
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(3-amino-4-methoxybutyl)-3-benzylurea
SMILESCOCC(N)CCNC(=O)NCc1ccccc1
InChIInChI=1S/C13H21N3O2/c1-18-10-12(14)7-8-15-13(17)16-9-11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3,(H2,15,16,17)
InChIKeyAWRAKXIATWVOIE-UHFFFAOYSA-N
XLogP0.85
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-benzyl-3-(2-methoxyethoxy)urea
CID 110642709
N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
CID 106243052
1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea
CID 95984730
2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide
CID 63761523
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
CID 107654533
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106243560
N-benzyl-2-(chloromethyl)-3-methoxypropanamide
CID 143985847

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxybutyl)-3-benzylurea?
The IUPAC name of 1-(3-amino-4-methoxybutyl)-3-benzylurea (CID 106243722) is 1-(3-amino-4-methoxybutyl)-3-benzylurea.
What is the SMILES notation for 1-(3-amino-4-methoxybutyl)-3-benzylurea?
The canonical SMILES for 1-(3-amino-4-methoxybutyl)-3-benzylurea is COCC(N)CCNC(=O)NCc1ccccc1.
What is the InChIKey of 1-(3-amino-4-methoxybutyl)-3-benzylurea?
The InChIKey is AWRAKXIATWVOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-10-12(14)7-8-15-13(17)16-9-11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-amino-4-methoxybutyl)-3-benzylurea?
1-(3-amino-4-methoxybutyl)-3-benzylurea has a molecular weight of 251.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxybutyl)-3-benzylurea is sourced from PubChem (CID 106243722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).