N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide

C16H25NO — CID 91693866

IUPACN-ethyl-N-(3-methylbutyl)-3-phenylpropanamide
SMILESCCN(CCC(C)C)C(=O)CCc1ccccc1
InChIInChI=1S/C16H25NO/c1-4-17(13-12-14(2)3)16(18)11-10-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3
InChIKeyKLSVTLNNYVFZQX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.51
Rot. Bonds7

About N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide

N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide (PubChem CID 91693866) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylbutyl)-3-phenylpropanamide
PubChem CID91693866
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-N-(3-methylbutyl)-3-phenylpropanamide
SMILESCCN(CCC(C)C)C(=O)CCc1ccccc1
InChIInChI=1S/C16H25NO/c1-4-17(13-12-14(2)3)16(18)11-10-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3
InChIKeyKLSVTLNNYVFZQX-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide?
The IUPAC name of N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide (CID 91693866) is N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide?
The canonical SMILES for N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide is CCN(CCC(C)C)C(=O)CCc1ccccc1.
What is the InChIKey of N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide?
The InChIKey is KLSVTLNNYVFZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17(13-12-14(2)3)16(18)11-10-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide?
N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide has a molecular weight of 247.38 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylbutyl)-3-phenylpropanamide is sourced from PubChem (CID 91693866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).