N-(3-butoxypropyl)-2-phenoxybutanamide

C17H27NO3 — CID 4557068

IUPACN-(3-butoxypropyl)-2-phenoxybutanamide
SMILESCCCCOCCCNC(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C17H27NO3/c1-3-5-13-20-14-9-12-18-17(19)16(4-2)21-15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3,(H,18,19)
InChIKeyBNMWDFYGQBDAKT-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds11

About N-(3-butoxypropyl)-2-phenoxybutanamide

N-(3-butoxypropyl)-2-phenoxybutanamide (PubChem CID 4557068) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-phenoxybutanamide
PubChem CID4557068
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(3-butoxypropyl)-2-phenoxybutanamide
SMILESCCCCOCCCNC(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C17H27NO3/c1-3-5-13-20-14-9-12-18-17(19)16(4-2)21-15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3,(H,18,19)
InChIKeyBNMWDFYGQBDAKT-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
4-(2-phenoxybutanoylamino)butanoic acid
CID 43091993
N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
CID 60654444
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
CID 92686159
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
CID 2165377

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-phenoxybutanamide?
The IUPAC name of N-(3-butoxypropyl)-2-phenoxybutanamide (CID 4557068) is N-(3-butoxypropyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-phenoxybutanamide?
The canonical SMILES for N-(3-butoxypropyl)-2-phenoxybutanamide is CCCCOCCCNC(=O)C(CC)Oc1ccccc1.
What is the InChIKey of N-(3-butoxypropyl)-2-phenoxybutanamide?
The InChIKey is BNMWDFYGQBDAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-5-13-20-14-9-12-18-17(19)16(4-2)21-15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3,(H,18,19).
What are the key properties of N-(3-butoxypropyl)-2-phenoxybutanamide?
N-(3-butoxypropyl)-2-phenoxybutanamide has a molecular weight of 293.41 g/mol, XLogP of 3.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-phenoxybutanamide is sourced from PubChem (CID 4557068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).