2-(3-formylphenoxy)-N-pentan-2-ylpropanamide

C15H21NO3 — CID 43112275

IUPAC2-(3-formylphenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1cccc(C=O)c1
InChIInChI=1S/C15H21NO3/c1-4-6-11(2)16-15(18)12(3)19-14-8-5-7-13(9-14)10-17/h5,7-12H,4,6H2,1-3H3,(H,16,18)
InChIKeyUAVVKESJESIXAD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.57
Rot. Bonds7

About 2-(3-formylphenoxy)-N-pentan-2-ylpropanamide

2-(3-formylphenoxy)-N-pentan-2-ylpropanamide (PubChem CID 43112275) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-formylphenoxy)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-formylphenoxy)-N-pentan-2-ylpropanamide
PubChem CID43112275
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(3-formylphenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1cccc(C=O)c1
InChIInChI=1S/C15H21NO3/c1-4-6-11(2)16-15(18)12(3)19-14-8-5-7-13(9-14)10-17/h5,7-12H,4,6H2,1-3H3,(H,16,18)
InChIKeyUAVVKESJESIXAD-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide
CID 103850004
2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43278238
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
N-butan-2-yl-2-(4-formylphenoxy)propanamide
CID 43117148
(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
CID 40537766
2-(3-chlorophenoxy)-N-heptan-2-ylpropanamide
CID 4097223
3-hex-1-en-3-yloxybenzaldehyde
CID 73229567
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
CID 107720399

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenoxy)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(3-formylphenoxy)-N-pentan-2-ylpropanamide (CID 43112275) is 2-(3-formylphenoxy)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(3-formylphenoxy)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(3-formylphenoxy)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1cccc(C=O)c1.
What is the InChIKey of 2-(3-formylphenoxy)-N-pentan-2-ylpropanamide?
The InChIKey is UAVVKESJESIXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-6-11(2)16-15(18)12(3)19-14-8-5-7-13(9-14)10-17/h5,7-12H,4,6H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-formylphenoxy)-N-pentan-2-ylpropanamide?
2-(3-formylphenoxy)-N-pentan-2-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenoxy)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43112275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).