2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide

C13H27N3O2 — CID 107424328

IUPAC2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CNC1(C)CCNC1
InChIInChI=1S/C13H27N3O2/c1-11(2)18-8-4-6-15-12(17)9-16-13(3)5-7-14-10-13/h11,14,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyNFBQIKYTTRLJTI-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.26
Rot. Bonds8

About 2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide

2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 107424328) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID107424328
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CNC1(C)CCNC1
InChIInChI=1S/C13H27N3O2/c1-11(2)18-8-4-6-15-12(17)9-16-13(3)5-7-14-10-13/h11,14,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyNFBQIKYTTRLJTI-UHFFFAOYSA-N
XLogP0.26
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N'-(3-propan-2-yloxypropyl)oxamide
CID 2273950
N-ethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]acetamide
CID 71859659
2-(tert-butylamino)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
CID 155458226
N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide
CID 162476765
2-amino-N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]acetamide
CID 169923827
2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide
CID 178000596
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 1974255
N'-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 7326751
N'-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 7326752
N'-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 11897657
N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 11897658
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-[3-(propan-2-yloxy)propyl]ethanediamide
CID 16468576

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide (CID 107424328) is 2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CNC1(C)CCNC1.
What is the InChIKey of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is NFBQIKYTTRLJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(2)18-8-4-6-15-12(17)9-16-13(3)5-7-14-10-13/h11,14,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 107424328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).