N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide

C21H37N3O2 — CID 143362732

IUPACN-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
SMILESCCCC(NC(=O)C1CCCN1C(=O)C(NC)C(C)(C)C)C(C)=C1CC1
InChIInChI=1S/C21H37N3O2/c1-7-9-16(14(2)15-11-12-15)23-19(25)17-10-8-13-24(17)20(26)18(22-6)21(3,4)5/h16-18,22H,7-13H2,1-6H3,(H,23,25)
InChIKeyTWHLEVRWEXKRLP-UHFFFAOYSA-N
MW363.55 g/mol
LogP3.01
Rot. Bonds7

About N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide

N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide (PubChem CID 143362732) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
PubChem CID143362732
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC NameN-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
SMILESCCCC(NC(=O)C1CCCN1C(=O)C(NC)C(C)(C)C)C(C)=C1CC1
InChIInChI=1S/C21H37N3O2/c1-7-9-16(14(2)15-11-12-15)23-19(25)17-10-8-13-24(17)20(26)18(22-6)21(3,4)5/h16-18,22H,7-13H2,1-6H3,(H,23,25)
InChIKeyTWHLEVRWEXKRLP-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
CID 143314594
(2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
CID 143354355
1-(2-acetamido-3,3-dimethylbutanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 59540150
1-[2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;propane
CID 162178931
(2S)-1-[3,3-dimethyl-2-(1-phenylnonan-2-ylcarbamoylamino)butanoyl]-N-(2,3-dioxoheptan-4-yl)pyrrolidine-2-carboxamide
CID 143355220
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[3,3-dimethyl-1-[2-[(7-methyl-2,3-dioxodecan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 143358313
(2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-(carbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 70332502
1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[(E)-2-methyl-5-(prop-2-enylcarbamoyl)oct-5-en-4-yl]pyrrolidine-2-carboxamide;ethane;methanol
CID 143362914
N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane
CID 143351060
(2S)-1-[3,3-dimethyl-2-[(2-morpholin-4-yl-2-oxoethyl)carbamoylamino]butanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide
CID 143354694
1-[3,3-dimethyl-2-(methylcarbamoylamino)butanoyl]-N-(1,2-dioxohept-6-en-3-yl)pyrrolidine-2-carboxamide
CID 143353105
3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 21057232

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide (CID 143362732) is N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide is CCCC(NC(=O)C1CCCN1C(=O)C(NC)C(C)(C)C)C(C)=C1CC1.
What is the InChIKey of N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide?
The InChIKey is TWHLEVRWEXKRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-7-9-16(14(2)15-11-12-15)23-19(25)17-10-8-13-24(17)20(26)18(22-6)21(3,4)5/h16-18,22H,7-13H2,1-6H3,(H,23,25).
What are the key properties of N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide?
N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 363.55 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylidenehexan-3-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143362732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).