N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C16H30N2O3 — CID 111463611

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)C1CCCN1C(=O)C(C)C
InChIInChI=1S/C16H30N2O3/c1-6-12(4)16(5,21)10-17-14(19)13-8-7-9-18(13)15(20)11(2)3/h11-13,21H,6-10H2,1-5H3,(H,17,19)
InChIKeyUNUROLVYLUUWEY-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.55
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 111463611) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID111463611
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)C1CCCN1C(=O)C(C)C
InChIInChI=1S/C16H30N2O3/c1-6-12(4)16(5,21)10-17-14(19)13-8-7-9-18(13)15(20)11(2)3/h11-13,21H,6-10H2,1-5H3,(H,17,19)
InChIKeyUNUROLVYLUUWEY-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 111912176
N-(2-hydroxy-2,3-dimethylpentyl)cyclopentanecarboxamide
CID 111463685
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid
CID 119350413
(2S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54069364
(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94592974
2-methyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-1-one
CID 121371179
N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide
CID 111477877
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide
CID 109380565

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 111463611) is N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is CCC(C)C(C)(O)CNC(=O)C1CCCN1C(=O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is UNUROLVYLUUWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-12(4)16(5,21)10-17-14(19)13-8-7-9-18(13)15(20)11(2)3/h11-13,21H,6-10H2,1-5H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 111463611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).