1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide

C19H36N2O3 — CID 109380565

IUPAC1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C1CCCN1C(=O)CC(C)(C)C
InChIInChI=1S/C19H36N2O3/c1-13(2)16(23)19(6,7)12-20-17(24)14-9-8-10-21(14)15(22)11-18(3,4)5/h13-14,16,23H,8-12H2,1-7H3,(H,20,24)
InChIKeyAJFVLNVJQDUWOM-UHFFFAOYSA-N
MW340.51 g/mol
LogP2.57
Rot. Bonds6

About 1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide

1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide (PubChem CID 109380565) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide
PubChem CID109380565
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Name1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C1CCCN1C(=O)CC(C)(C)C
InChIInChI=1S/C19H36N2O3/c1-13(2)16(23)19(6,7)12-20-17(24)14-9-8-10-21(14)15(22)11-18(3,4)5/h13-14,16,23H,8-12H2,1-7H3,(H,20,24)
InChIKeyAJFVLNVJQDUWOM-UHFFFAOYSA-N
XLogP2.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119506295
1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119425971
1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119535072
N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 119602226
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
4-[[[1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120543085
1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111480417
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
(2S)-1-(3,3-dimethylbutanoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 51071501
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide (CID 109380565) is 1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)C1CCCN1C(=O)CC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide?
The InChIKey is AJFVLNVJQDUWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-13(2)16(23)19(6,7)12-20-17(24)14-9-8-10-21(14)15(22)11-18(3,4)5/h13-14,16,23H,8-12H2,1-7H3,(H,20,24).
What are the key properties of 1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide?
1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide has a molecular weight of 340.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 109380565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).