4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide

C22H29NO3 — CID 55710235

IUPAC4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-3-25-20-14-7-8-15-21(20)26-18-10-16-22(24)23(2)17-9-13-19-11-5-4-6-12-19/h4-8,11-12,14-15H,3,9-10,13,16-18H2,1-2H3
InChIKeyNHCYEKKAHOWNAV-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.34
Rot. Bonds11

About 4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide

4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide (PubChem CID 55710235) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide
PubChem CID55710235
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-3-25-20-14-7-8-15-21(20)26-18-10-16-22(24)23(2)17-9-13-19-11-5-4-6-12-19/h4-8,11-12,14-15H,3,9-10,13,16-18H2,1-2H3
InChIKeyNHCYEKKAHOWNAV-UHFFFAOYSA-N
XLogP4.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
CID 95971990
4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43092346
N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide
CID 55377741
N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
N-(3-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide (CID 55710235) is 4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide is CCOc1ccccc1OCCCC(=O)N(C)CCCc1ccccc1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide?
The InChIKey is NHCYEKKAHOWNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-3-25-20-14-7-8-15-21(20)26-18-10-16-22(24)23(2)17-9-13-19-11-5-4-6-12-19/h4-8,11-12,14-15H,3,9-10,13,16-18H2,1-2H3.
What are the key properties of 4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide?
4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide has a molecular weight of 355.48 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 55710235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).