N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide

C14H26N2O2 — CID 70906853

IUPACN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide
SMILESCCC(C)N(CCN(C)C(=O)CC1CC1)C(C)=O
InChIInChI=1S/C14H26N2O2/c1-5-11(2)16(12(3)17)9-8-15(4)14(18)10-13-6-7-13/h11,13H,5-10H2,1-4H3
InChIKeyIVSKNQQBELJVKN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.89
Rot. Bonds7

About N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide

N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide (PubChem CID 70906853) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide
PubChem CID70906853
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide
SMILESCCC(C)N(CCN(C)C(=O)CC1CC1)C(C)=O
InChIInChI=1S/C14H26N2O2/c1-5-11(2)16(12(3)17)9-8-15(4)14(18)10-13-6-7-13/h11,13H,5-10H2,1-4H3
InChIKeyIVSKNQQBELJVKN-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide?
The IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide (CID 70906853) is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide.
What is the SMILES notation for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide?
The canonical SMILES for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide is CCC(C)N(CCN(C)C(=O)CC1CC1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide?
The InChIKey is IVSKNQQBELJVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-11(2)16(12(3)17)9-8-15(4)14(18)10-13-6-7-13/h11,13H,5-10H2,1-4H3.
What are the key properties of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide?
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide has a molecular weight of 254.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 70906853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).