N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide

C16H31N3O2 — CID 119660737

IUPACN-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)C(N)CCN(C)C(=O)C(C(C)C)N1CCCC1=O
InChIInChI=1S/C16H31N3O2/c1-11(2)13(17)8-10-18(5)16(21)15(12(3)4)19-9-6-7-14(19)20/h11-13,15H,6-10,17H2,1-5H3
InChIKeyFRHBERQAEBFSIQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.47
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide

N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 119660737) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID119660737
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)C(N)CCN(C)C(=O)C(C(C)C)N1CCCC1=O
InChIInChI=1S/C16H31N3O2/c1-11(2)13(17)8-10-18(5)16(21)15(12(3)4)19-9-6-7-14(19)20/h11-13,15H,6-10,17H2,1-5H3
InChIKeyFRHBERQAEBFSIQ-UHFFFAOYSA-N
XLogP1.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 119660737) is N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)C(N)CCN(C)C(=O)C(C(C)C)N1CCCC1=O.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is FRHBERQAEBFSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11(2)13(17)8-10-18(5)16(21)15(12(3)4)19-9-6-7-14(19)20/h11-13,15H,6-10,17H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide?
N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 297.44 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 119660737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).