N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide

C12H24N2O3 — CID 63141705

IUPACN-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCC(OC)OC)CCNC1
InChIInChI=1S/C12H24N2O3/c1-4-5-12(6-7-13-9-12)11(15)14-8-10(16-2)17-3/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyMYSSKYXBTYQUPE-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.50
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide

N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63141705) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63141705
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCC(OC)OC)CCNC1
InChIInChI=1S/C12H24N2O3/c1-4-5-12(6-7-13-9-12)11(15)14-8-10(16-2)17-3/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyMYSSKYXBTYQUPE-UHFFFAOYSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 83142761
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 63141210
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide
CID 63141311
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 55166881
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide
CID 63128641
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 65120275

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide (CID 63141705) is N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCC(OC)OC)CCNC1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is MYSSKYXBTYQUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-5-12(6-7-13-9-12)11(15)14-8-10(16-2)17-3/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide?
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).