N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide

C12H25N3O — CID 61473966

IUPACN-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
SMILESCCNC(=O)C(C)NC(C)CN1CCCC1
InChIInChI=1S/C12H25N3O/c1-4-13-12(16)11(3)14-10(2)9-15-7-5-6-8-15/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyMUTPYDQLMBSWIC-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds6

About N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide

N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide (PubChem CID 61473966) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
PubChem CID61473966
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
SMILESCCNC(=O)C(C)NC(C)CN1CCCC1
InChIInChI=1S/C12H25N3O/c1-4-13-12(16)11(3)14-10(2)9-15-7-5-6-8-15/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyMUTPYDQLMBSWIC-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473930
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide
CID 61499941
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate
CID 66337589
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide
CID 77030857
N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473889
N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
CID 65074151
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide?
The IUPAC name of N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide (CID 61473966) is N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide.
What is the SMILES notation for N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide?
The canonical SMILES for N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide is CCNC(=O)C(C)NC(C)CN1CCCC1.
What is the InChIKey of N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide?
The InChIKey is MUTPYDQLMBSWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-13-12(16)11(3)14-10(2)9-15-7-5-6-8-15/h10-11,14H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide?
N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide is sourced from PubChem (CID 61473966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).