2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide

C16H31N3O — CID 83221829

IUPAC2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide
SMILESCCCNC(CN1C(C)CCC1CC)(C(N)=O)C1CC1
InChIInChI=1S/C16H31N3O/c1-4-10-18-16(15(17)20,13-7-8-13)11-19-12(3)6-9-14(19)5-2/h12-14,18H,4-11H2,1-3H3,(H2,17,20)
InChIKeyARTBWWOEHNNBGQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds8

About 2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide

2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide (PubChem CID 83221829) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide
PubChem CID83221829
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide
SMILESCCCNC(CN1C(C)CCC1CC)(C(N)=O)C1CC1
InChIInChI=1S/C16H31N3O/c1-4-10-18-16(15(17)20,13-7-8-13)11-19-12(3)6-9-14(19)5-2/h12-14,18H,4-11H2,1-3H3,(H2,17,20)
InChIKeyARTBWWOEHNNBGQ-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propanamide
CID 83221428
methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 83222141
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide
CID 81465456
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanamide
CID 63910704
2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide
CID 63919890
2-cyclopropyl-3-(2-ethylimidazol-1-yl)-2-(propylamino)propanamide
CID 63919908
methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 83221825
2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
CID 63921417
2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide
CID 114234379
2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
CID 63907693
2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanamide
CID 63909203
ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate
CID 63907026

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide (CID 83221829) is 2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide is CCCNC(CN1C(C)CCC1CC)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide?
The InChIKey is ARTBWWOEHNNBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-10-18-16(15(17)20,13-7-8-13)11-19-12(3)6-9-14(19)5-2/h12-14,18H,4-11H2,1-3H3,(H2,17,20).
What are the key properties of 2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide?
2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide is sourced from PubChem (CID 83221829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).