4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide

C14H28N2O — CID 63714459

IUPAC4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
SMILESCCCCCCC(C)NC(=O)C1CNCC1C
InChIInChI=1S/C14H28N2O/c1-4-5-6-7-8-12(3)16-14(17)13-10-15-9-11(13)2/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyPGBFPQOTZWCRTL-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.32
Rot. Bonds7

About 4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide

4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide (PubChem CID 63714459) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
PubChem CID63714459
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
SMILESCCCCCCC(C)NC(=O)C1CNCC1C
InChIInChI=1S/C14H28N2O/c1-4-5-6-7-8-12(3)16-14(17)13-10-15-9-11(13)2/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyPGBFPQOTZWCRTL-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
octan-2-yl 4-methylpyrrolidine-3-carboxylate
CID 63719523
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
2-(heptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791589
5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide
CID 102706657
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
1-N,3-N,5-N-tri(octan-2-yl)cyclohexane-1,3,5-tricarboxamide
CID 102292990

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide (CID 63714459) is 4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide is CCCCCCC(C)NC(=O)C1CNCC1C.
What is the InChIKey of 4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is PGBFPQOTZWCRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-5-6-7-8-12(3)16-14(17)13-10-15-9-11(13)2/h11-13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide?
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63714459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).