1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea

C14H21N3O — CID 107654315

IUPAC1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea
SMILESCN(C(=O)NCc1ccccc1)C(CN)C1CC1
InChIInChI=1S/C14H21N3O/c1-17(13(9-15)12-7-8-12)14(18)16-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18)
InChIKeyYEKXYPVOVGFBDP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.57
Rot. Bonds5

About 1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea

1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea (PubChem CID 107654315) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea.

Molecular Properties

Compound Name1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea
PubChem CID107654315
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea
SMILESCN(C(=O)NCc1ccccc1)C(CN)C1CC1
InChIInChI=1S/C14H21N3O/c1-17(13(9-15)12-7-8-12)14(18)16-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18)
InChIKeyYEKXYPVOVGFBDP-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea
CID 116652081
1-(2-amino-1-cyclopropylethyl)-3-cyclopropyl-1-methylurea
CID 116652105
1-(4-aminocyclohexyl)-3-benzyl-1-methylurea
CID 107652884
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
CID 116651988
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 116652032
N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide
CID 116651974
N-(2-amino-1-cyclopropylethyl)-N-methyl-1H-indazole-3-carboxamide
CID 116652054
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
CID 107654169
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 116651907
1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea
CID 116652103

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea?
The IUPAC name of 1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea (CID 107654315) is 1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea.
What is the SMILES notation for 1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea?
The canonical SMILES for 1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea is CN(C(=O)NCc1ccccc1)C(CN)C1CC1.
What is the InChIKey of 1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea?
The InChIKey is YEKXYPVOVGFBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(13(9-15)12-7-8-12)14(18)16-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18).
What are the key properties of 1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea?
1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea has a molecular weight of 247.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea is sourced from PubChem (CID 107654315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).