N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide

C15H24N2O — CID 43507836

IUPACN-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
SMILESCCNC(C)c1cccc(NC(=O)C(C)CC)c1
InChIInChI=1S/C15H24N2O/c1-5-11(3)15(18)17-14-9-7-8-13(10-14)12(4)16-6-2/h7-12,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyKLQDWSRCFUQUHK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.34
Rot. Bonds6

About N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide

N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide (PubChem CID 43507836) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
PubChem CID43507836
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
SMILESCCNC(C)c1cccc(NC(=O)C(C)CC)c1
InChIInChI=1S/C15H24N2O/c1-5-11(3)15(18)17-14-9-7-8-13(10-14)12(4)16-6-2/h7-12,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyKLQDWSRCFUQUHK-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide?
The IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide (CID 43507836) is N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide.
What is the SMILES notation for N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide?
The canonical SMILES for N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide is CCNC(C)c1cccc(NC(=O)C(C)CC)c1.
What is the InChIKey of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide?
The InChIKey is KLQDWSRCFUQUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-11(3)15(18)17-14-9-7-8-13(10-14)12(4)16-6-2/h7-12,16H,5-6H2,1-4H3,(H,17,18).
What are the key properties of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide?
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide is sourced from PubChem (CID 43507836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).