N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide

C14H27N3O2 — CID 119661116

IUPACN-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(C)CCC(N)C(C)C)CC1=O
InChIInChI=1S/C14H27N3O2/c1-5-17-9-11(8-13(17)18)14(19)16(4)7-6-12(15)10(2)3/h10-12H,5-9,15H2,1-4H3
InChIKeyGVTXIOHICQPIGB-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.69
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide

N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119661116) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID119661116
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(C)CCC(N)C(C)C)CC1=O
InChIInChI=1S/C14H27N3O2/c1-5-17-9-11(8-13(17)18)14(19)16(4)7-6-12(15)10(2)3/h10-12H,5-9,15H2,1-4H3
InChIKeyGVTXIOHICQPIGB-UHFFFAOYSA-N
XLogP0.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.69
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)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 119661116) is N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)N(C)CCC(N)C(C)C)CC1=O.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GVTXIOHICQPIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-17-9-11(8-13(17)18)14(19)16(4)7-6-12(15)10(2)3/h10-12H,5-9,15H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.69, 6 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)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119661116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).