2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide

C19H23NO3 — CID 17154738

IUPAC2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C19H23NO3/c1-4-18(23-16-10-6-5-7-11-16)19(21)20-15-9-8-12-17(13-15)22-14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)
InChIKeyKBJAKASJGZGGPO-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.27
Rot. Bonds7

About 2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide

2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide (PubChem CID 17154738) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
PubChem CID17154738
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C19H23NO3/c1-4-18(23-16-10-6-5-7-11-16)19(21)20-15-9-8-12-17(13-15)22-14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)
InChIKeyKBJAKASJGZGGPO-UHFFFAOYSA-N
XLogP4.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
[3-(2-phenoxybutanoylamino)phenyl] acetate
CID 17341786
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43905698
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
N-(3-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133199833
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17097350
2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222894
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide (CID 17154738) is 2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide is CCC(Oc1ccccc1)C(=O)Nc1cccc(OC(C)C)c1.
What is the InChIKey of 2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide?
The InChIKey is KBJAKASJGZGGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-18(23-16-10-6-5-7-11-16)19(21)20-15-9-8-12-17(13-15)22-14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide?
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 17154738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).