2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide

C12H23N3O2 — CID 78844134

IUPAC2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(C)C(C)C1CC1
InChIInChI=1S/C12H23N3O2/c1-5-13-12(17)14-11(16)9(3)15(4)8(2)10-6-7-10/h8-10H,5-7H2,1-4H3,(H2,13,14,16,17)
InChIKeyISHHVDZIQACFHH-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.95
Rot. Bonds5

About 2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide

2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide (PubChem CID 78844134) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide
PubChem CID78844134
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(C)C(C)C1CC1
InChIInChI=1S/C12H23N3O2/c1-5-13-12(17)14-11(16)9(3)15(4)8(2)10-6-7-10/h8-10H,5-7H2,1-4H3,(H2,13,14,16,17)
InChIKeyISHHVDZIQACFHH-UHFFFAOYSA-N
XLogP0.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(cyclopentyl)amino]-N-(ethylcarbamoyl)propanamide
CID 63761474
2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-ethylacetamide
CID 52533893
2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide
CID 54982242
N-(ethylcarbamoyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 78825733
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 116652580
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 79703748
(2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide
CID 97237391
2-(cyclopentylmethylamino)-N-(ethylcarbamoyl)propanamide
CID 43317222
N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617964
2-(1-cyclopropylbutan-2-ylamino)-N-(ethylcarbamoyl)propanamide
CID 63996539
3-[1-cyclopropylethyl(methyl)amino]pentanoic acid
CID 63069500
N-(ethylcarbamoyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724729

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide (CID 78844134) is 2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)N(C)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is ISHHVDZIQACFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-13-12(17)14-11(16)9(3)15(4)8(2)10-6-7-10/h8-10H,5-7H2,1-4H3,(H2,13,14,16,17).
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide?
2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 78844134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).