N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

C14H27N3O2 — CID 134031662

IUPACN,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(C)NC(=O)CN1CCCC1C(=O)N(C)C
InChIInChI=1S/C14H27N3O2/c1-10(2)11(3)15-13(18)9-17-8-6-7-12(17)14(19)16(4)5/h10-12H,6-9H2,1-5H3,(H,15,18)
InChIKeyBOGANNUMKQTXLJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.70
Rot. Bonds5

About N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 134031662) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID134031662
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(C)NC(=O)CN1CCCC1C(=O)N(C)C
InChIInChI=1S/C14H27N3O2/c1-10(2)11(3)15-13(18)9-17-8-6-7-12(17)14(19)16(4)5/h10-12H,6-9H2,1-5H3,(H,15,18)
InChIKeyBOGANNUMKQTXLJ-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 134031662) is N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is CC(C)C(C)NC(=O)CN1CCCC1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is BOGANNUMKQTXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)11(3)15-13(18)9-17-8-6-7-12(17)14(19)16(4)5/h10-12H,6-9H2,1-5H3,(H,15,18).
What are the key properties of N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134031662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).