N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C14H29N3O — CID 106980592

IUPACN-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(C)CCNC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C14H29N3O/c1-11(2)14(6-7-15-10-14)13(18)16-8-9-17(5)12(3)4/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeySEWFZFZLDUNAOJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.08
Rot. Bonds6

About N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980592) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980592
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(C)CCNC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C14H29N3O/c1-11(2)14(6-7-15-10-14)13(18)16-8-9-17(5)12(3)4/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeySEWFZFZLDUNAOJ-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980592) is N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(C)CCNC(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is SEWFZFZLDUNAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)14(6-7-15-10-14)13(18)16-8-9-17(5)12(3)4/h11-12,15H,6-10H2,1-5H3,(H,16,18).
What are the key properties of N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).