N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C16H28N4O3 — CID 155261104

IUPACN-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCNCCCC(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C16H28N4O3/c1-17-9-3-8-14(21)19-10-5-7-13(19)16(23)20-11-4-6-12(20)15(22)18-2/h12-13,17H,3-11H2,1-2H3,(H,18,22)
InChIKeyIREGQXGHJFZWPJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP-0.29
Rot. Bonds6

About N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 155261104) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID155261104
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCNCCCC(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C16H28N4O3/c1-17-9-3-8-14(21)19-10-5-7-13(19)16(23)20-11-4-6-12(20)15(22)18-2/h12-13,17H,3-11H2,1-2H3,(H,18,22)
InChIKeyIREGQXGHJFZWPJ-UHFFFAOYSA-N
XLogP-0.29
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
ethane;5-methylhexan-2-one;(2S)-N-methyl-1-pentanoylpyrrolidine-2-carboxamide
CID 156846202
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119751074
2-[1-[4-(methylamino)butanoyl]pyrrolidin-2-yl]acetic acid
CID 61371159

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 155261104) is N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is CNCCCC(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC.
What is the InChIKey of N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is IREGQXGHJFZWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-17-9-3-8-14(21)19-10-5-7-13(19)16(23)20-11-4-6-12(20)15(22)18-2/h12-13,17H,3-11H2,1-2H3,(H,18,22).
What are the key properties of N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155261104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).