4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide

C17H25NO3 — CID 97258997

IUPAC4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide
SMILESCCOCCCC(=O)N[C@H]1C[C@@H]1c1cccc(OCC)c1
InChIInChI=1S/C17H25NO3/c1-3-20-10-6-9-17(19)18-16-12-15(16)13-7-5-8-14(11-13)21-4-2/h5,7-8,11,15-16H,3-4,6,9-10,12H2,1-2H3,(H,18,19)/t15-,16+/m1/s1
InChIKeyJGSCGJVNIJMFHC-CVEARBPZSA-N
MW291.39 g/mol
LogP2.87
Rot. Bonds9

About 4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide

4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide (PubChem CID 97258997) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide
PubChem CID97258997
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide
SMILESCCOCCCC(=O)N[C@H]1C[C@@H]1c1cccc(OCC)c1
InChIInChI=1S/C17H25NO3/c1-3-20-10-6-9-17(19)18-16-12-15(16)13-7-5-8-14(11-13)21-4-2/h5,7-8,11,15-16H,3-4,6,9-10,12H2,1-2H3,(H,18,19)/t15-,16+/m1/s1
InChIKeyJGSCGJVNIJMFHC-CVEARBPZSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.87
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

4-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 105122439
1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide
CID 97258913
N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 97258923
N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
CID 62365265
N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide
CID 47228165
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
butyl [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl] carbonate
CID 123973069
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-one
CID 81414960
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide?
The IUPAC name of 4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide (CID 97258997) is 4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide is CCOCCCC(=O)N[C@H]1C[C@@H]1c1cccc(OCC)c1.
What is the InChIKey of 4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide?
The InChIKey is JGSCGJVNIJMFHC-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-20-10-6-9-17(19)18-16-12-15(16)13-7-5-8-14(11-13)21-4-2/h5,7-8,11,15-16H,3-4,6,9-10,12H2,1-2H3,(H,18,19)/t15-,16+/m1/s1.
What are the key properties of 4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide?
4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide has a molecular weight of 291.39 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide is sourced from PubChem (CID 97258997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).