N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide

C13H26N2O2 — CID 115737915

IUPACN-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide
SMILESCCCCOCCCNC(=O)C1(C)CCNC1
InChIInChI=1S/C13H26N2O2/c1-3-4-9-17-10-5-7-15-12(16)13(2)6-8-14-11-13/h14H,3-11H2,1-2H3,(H,15,16)
InChIKeyOBBXHABQCZBRFC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds8

About N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide

N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 115737915) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID115737915
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide
SMILESCCCCOCCCNC(=O)C1(C)CCNC1
InChIInChI=1S/C13H26N2O2/c1-3-4-9-17-10-5-7-15-12(16)13(2)6-8-14-11-13/h14H,3-11H2,1-2H3,(H,15,16)
InChIKeyOBBXHABQCZBRFC-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide
CID 55165905
N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 115740541
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
ethyl 4-[(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 64576192
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
N-(2-cyclopentyloxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63826527
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
butyl 3-methylpyrrolidine-3-carboxylate
CID 63145158
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 83110875

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide (CID 115737915) is N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide is CCCCOCCCNC(=O)C1(C)CCNC1.
What is the InChIKey of N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is OBBXHABQCZBRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-9-17-10-5-7-15-12(16)13(2)6-8-14-11-13/h14H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide?
N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 115737915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).