N-octyl-2-propylpyrrolidine-2-carboxamide

C16H32N2O — CID 106975640

IUPACN-octyl-2-propylpyrrolidine-2-carboxamide
SMILESCCCCCCCCNC(=O)C1(CCC)CCCN1
InChIInChI=1S/C16H32N2O/c1-3-5-6-7-8-9-13-17-15(19)16(11-4-2)12-10-14-18-16/h18H,3-14H2,1-2H3,(H,17,19)
InChIKeyOILFLVGUAQNHLB-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.39
Rot. Bonds10

About N-octyl-2-propylpyrrolidine-2-carboxamide

N-octyl-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975640) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-octyl-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-octyl-2-propylpyrrolidine-2-carboxamide
PubChem CID106975640
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-octyl-2-propylpyrrolidine-2-carboxamide
SMILESCCCCCCCCNC(=O)C1(CCC)CCCN1
InChIInChI=1S/C16H32N2O/c1-3-5-6-7-8-9-13-17-15(19)16(11-4-2)12-10-14-18-16/h18H,3-14H2,1-2H3,(H,17,19)
InChIKeyOILFLVGUAQNHLB-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.39
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

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
(2S)-2-[[(2S)-2-[(3R)-3-(3-cyclohexylpropylamino)-2-oxo-3-propylpyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44307165
Proline scaffold, 10
CID 42618108
Proline scaffold, 30
CID 42618127
Proline scaffold, 33
CID 42618130
N-cycloheptyl-2-methyl-1-(3-methylbutyl)-5-oxoprolinamide
CID 3244668
N-cyclooctyl-2-methyl-1-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 4443756
(2S)-2-[[(2S)-2-[(3S)-3-(3-cyclohexylpropylamino)-2-oxo-3-propylpyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44307407
(S)-Pyrrolidine-2-carboxylic acid hexadecylamide
CID 9927834
Pyrrolidine-2-carboxylic acid hexadecylamide
CID 14373245
Pentanamide, 2-amino-N-dodecyl-4-methyl-, (2S)-
CID 53958672
(2S)-2-amino-N-dodecyl-3-methylpentanamide
CID 88629494

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-octyl-2-propylpyrrolidine-2-carboxamide (CID 106975640) is N-octyl-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-octyl-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-octyl-2-propylpyrrolidine-2-carboxamide is CCCCCCCCNC(=O)C1(CCC)CCCN1.
What is the InChIKey of N-octyl-2-propylpyrrolidine-2-carboxamide?
The InChIKey is OILFLVGUAQNHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-6-7-8-9-13-17-15(19)16(11-4-2)12-10-14-18-16/h18H,3-14H2,1-2H3,(H,17,19).
What are the key properties of N-octyl-2-propylpyrrolidine-2-carboxamide?
N-octyl-2-propylpyrrolidine-2-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).