2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide

C12H20N4O2 — CID 54982242

IUPAC2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(CCC#N)C1CC1
InChIInChI=1S/C12H20N4O2/c1-3-14-12(18)15-11(17)9(2)16(8-4-7-13)10-5-6-10/h9-10H,3-6,8H2,1-2H3,(H2,14,15,17,18)
InChIKeyLGJHOXSTYVKPKH-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.60
Rot. Bonds6

About 2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide

2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide (PubChem CID 54982242) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide
PubChem CID54982242
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(CCC#N)C1CC1
InChIInChI=1S/C12H20N4O2/c1-3-14-12(18)15-11(17)9(2)16(8-4-7-13)10-5-6-10/h9-10H,3-6,8H2,1-2H3,(H2,14,15,17,18)
InChIKeyLGJHOXSTYVKPKH-UHFFFAOYSA-N
XLogP0.60
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(cyclopentyl)amino]-N-(ethylcarbamoyl)propanamide
CID 63761474
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 79703748
3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide
CID 79409545
N-(ethylcarbamoyl)-2-[piperidin-3-yl(propyl)amino]propanamide
CID 63637325
2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide
CID 78844134
3-[cyclopropyl(pentan-3-yl)amino]propanenitrile
CID 112733986
N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide
CID 62854021
3-[[4-(methylamino)cyclohexyl]-propan-2-ylamino]propanenitrile
CID 114763078
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 102870196
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61040136
2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide
CID 43137645
2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945067

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide (CID 54982242) is 2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)N(CCC#N)C1CC1.
What is the InChIKey of 2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is LGJHOXSTYVKPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-14-12(18)15-11(17)9(2)16(8-4-7-13)10-5-6-10/h9-10H,3-6,8H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide?
2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 54982242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).