N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide

C16H21NO4 — CID 9201186

IUPACN-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C16H21NO4/c1-3-20-15-8-12(9-18)4-7-14(15)21-10-16(19)17-11(2)13-5-6-13/h4,7-9,11,13H,3,5-6,10H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyIPWYQLNAABWZBR-NSHDSACASA-N
MW291.35 g/mol
LogP2.19
Rot. Bonds8

About N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide

N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide (PubChem CID 9201186) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
PubChem CID9201186
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C16H21NO4/c1-3-20-15-8-12(9-18)4-7-14(15)21-10-16(19)17-11(2)13-5-6-13/h4,7-9,11,13H,3,5-6,10H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyIPWYQLNAABWZBR-NSHDSACASA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8640967
N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8009776
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8009356
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8009706
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide
CID 9201164
N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 8808925
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8808309
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8879951
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide (CID 9201186) is N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide is CCOc1cc(C=O)ccc1OCC(=O)N[C@@H](C)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
The InChIKey is IPWYQLNAABWZBR-NSHDSACASA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-20-15-8-12(9-18)4-7-14(15)21-10-16(19)17-11(2)13-5-6-13/h4,7-9,11,13H,3,5-6,10H2,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide is sourced from PubChem (CID 9201186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).