1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride

C13H19ClN4O2 — CID 119755854

IUPAC1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCCNC(=O)Nc1cccc(NC(=O)C2(N)CC2)c1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-2-15-12(19)17-10-5-3-4-9(8-10)16-11(18)13(14)6-7-13;/h3-5,8H,2,6-7,14H2,1H3,(H,16,18)(H2,15,17,19);1H
InChIKeyDXJSGXXDSDKUSA-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.68
Rot. Bonds4

About 1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119755854) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119755854
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCCNC(=O)Nc1cccc(NC(=O)C2(N)CC2)c1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-2-15-12(19)17-10-5-3-4-9(8-10)16-11(18)13(14)6-7-13;/h3-5,8H,2,6-7,14H2,1H3,(H,16,18)(H2,15,17,19);1H
InChIKeyDXJSGXXDSDKUSA-UHFFFAOYSA-N
XLogP1.68
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60854804
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119755854) is 1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride is CCNC(=O)Nc1cccc(NC(=O)C2(N)CC2)c1.Cl.
What is the InChIKey of 1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is DXJSGXXDSDKUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.ClH/c1-2-15-12(19)17-10-5-3-4-9(8-10)16-11(18)13(14)6-7-13;/h3-5,8H,2,6-7,14H2,1H3,(H,16,18)(H2,15,17,19);1H.
What are the key properties of 1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119755854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).