N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide

C23H29NO3 — CID 55478527

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C23H29NO3/c1-3-26-20-7-4-5-8-21(20)27-16-6-9-22(25)24-23(19-14-15-19)18-12-10-17(2)11-13-18/h4-5,7-8,10-13,19,23H,3,6,9,14-16H2,1-2H3,(H,24,25)
InChIKeyBGULJUDGDQXQBP-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.82
Rot. Bonds10

About N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide

N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide (PubChem CID 55478527) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
PubChem CID55478527
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C23H29NO3/c1-3-26-20-7-4-5-8-21(20)27-16-6-9-22(25)24-23(19-14-15-19)18-12-10-17(2)11-13-18/h4-5,7-8,10-13,19,23H,3,6,9,14-16H2,1-2H3,(H,24,25)
InChIKeyBGULJUDGDQXQBP-UHFFFAOYSA-N
XLogP4.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.82
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

N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide
CID 78832040
N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 51296073
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide
CID 26311228
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 55478443
N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 24625885
N-[cyclopropyl-(4-methylphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 55478188
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
CID 119617616

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide (CID 55478527) is N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)NC(c1ccc(C)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is BGULJUDGDQXQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-26-20-7-4-5-8-21(20)27-16-6-9-22(25)24-23(19-14-15-19)18-12-10-17(2)11-13-18/h4-5,7-8,10-13,19,23H,3,6,9,14-16H2,1-2H3,(H,24,25).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 367.49 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 55478527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).