2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide

C15H29N3O — CID 113418666

IUPAC2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide
SMILESCCC1CCN(CC(NC(C)C)(C(N)=O)C2CC2)C1
InChIInChI=1S/C15H29N3O/c1-4-12-7-8-18(9-12)10-15(14(16)19,13-5-6-13)17-11(2)3/h11-13,17H,4-10H2,1-3H3,(H2,16,19)
InChIKeyDBIJJECBPQTKET-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.35
Rot. Bonds7

About 2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide (PubChem CID 113418666) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide
PubChem CID113418666
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide
SMILESCCC1CCN(CC(NC(C)C)(C(N)=O)C2CC2)C1
InChIInChI=1S/C15H29N3O/c1-4-12-7-8-18(9-12)10-15(14(16)19,13-5-6-13)17-11(2)3/h11-13,17H,4-10H2,1-3H3,(H2,16,19)
InChIKeyDBIJJECBPQTKET-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide (CID 113418666) is 2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide is CCC1CCN(CC(NC(C)C)(C(N)=O)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide?
The InChIKey is DBIJJECBPQTKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-12-7-8-18(9-12)10-15(14(16)19,13-5-6-13)17-11(2)3/h11-13,17H,4-10H2,1-3H3,(H2,16,19).
What are the key properties of 2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide has a molecular weight of 267.42 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 113418666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).