1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea

C14H18N4O — CID 116652103

IUPAC1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(C#N)cc1)C(CN)C1CC1
InChIInChI=1S/C14H18N4O/c1-18(13(9-16)11-4-5-11)14(19)17-12-6-2-10(8-15)3-7-12/h2-3,6-7,11,13H,4-5,9,16H2,1H3,(H,17,19)
InChIKeyRMPNLBHARZSRBG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.76
Rot. Bonds4

About 1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea

1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea (PubChem CID 116652103) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea.

Molecular Properties

Compound Name1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea
PubChem CID116652103
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(C#N)cc1)C(CN)C1CC1
InChIInChI=1S/C14H18N4O/c1-18(13(9-16)11-4-5-11)14(19)17-12-6-2-10(8-15)3-7-12/h2-3,6-7,11,13H,4-5,9,16H2,1H3,(H,17,19)
InChIKeyRMPNLBHARZSRBG-UHFFFAOYSA-N
XLogP1.76
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
1-(2-amino-1-cyclopropylethyl)-3-cyclopropyl-1-methylurea
CID 116652105
1-(3-amino-2,2-dimethylpropyl)-3-(4-cyanophenyl)-1-methylurea
CID 79652704
3-(4-cyanophenyl)-1-methyl-1-pyrrolidin-3-ylurea
CID 63297846
4-amino-N-(4-cyanophenyl)-3-methylbutanamide
CID 81070999
1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea
CID 104877168
3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 87013122
1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
CID 28894609
1-(azepan-4-yl)-3-(4-cyanophenyl)-1-methylurea
CID 107172674
ethyl 2-[4-[(4-cyanophenyl)carbamoyl-methylamino]piperidin-1-yl]acetate
CID 22444722
3-(4-cyanophenyl)-1-[(1S)-1-(3-cyanophenyl)ethyl]-1-cyclobutylurea
CID 158334086
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea?
The IUPAC name of 1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea (CID 116652103) is 1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea.
What is the SMILES notation for 1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea?
The canonical SMILES for 1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea is CN(C(=O)Nc1ccc(C#N)cc1)C(CN)C1CC1.
What is the InChIKey of 1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea?
The InChIKey is RMPNLBHARZSRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(13(9-16)11-4-5-11)14(19)17-12-6-2-10(8-15)3-7-12/h2-3,6-7,11,13H,4-5,9,16H2,1H3,(H,17,19).
What are the key properties of 1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea?
1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea has a molecular weight of 258.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea is sourced from PubChem (CID 116652103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).