N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide

C12H25N3O — CID 61473889

IUPACN-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
SMILESCCCNC(=O)CNC(C)CN1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-6-13-12(16)9-14-11(2)10-15-7-4-5-8-15/h11,14H,3-10H2,1-2H3,(H,13,16)
InChIKeyBBFGURVNUJZAQK-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.59
Rot. Bonds7

About N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide

N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide (PubChem CID 61473889) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
PubChem CID61473889
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
SMILESCCCNC(=O)CNC(C)CN1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-6-13-12(16)9-14-11(2)10-15-7-4-5-8-15/h11,14H,3-10H2,1-2H3,(H,13,16)
InChIKeyBBFGURVNUJZAQK-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
N-carbamoyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473770
N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 54952745
2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 60852471
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
N-methyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 62324218
N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 55180342
2-(1-cyanopropan-2-ylamino)-N-propylacetamide
CID 60913977
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
2-(1-methoxypropan-2-ylamino)-N-propylacetamide
CID 43179596
1-butyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590501

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide (CID 61473889) is N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide is CCCNC(=O)CNC(C)CN1CCCC1.
What is the InChIKey of N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The InChIKey is BBFGURVNUJZAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-6-13-12(16)9-14-11(2)10-15-7-4-5-8-15/h11,14H,3-10H2,1-2H3,(H,13,16).
What are the key properties of N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 61473889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).