N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide

C17H22N2O5 — CID 153330138

IUPACN-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide
SMILESCC(=O)NCCCCNC(=O)COc1cccc(C=O)c1C(C)=O
InChIInChI=1S/C17H22N2O5/c1-12(21)17-14(10-20)6-5-7-15(17)24-11-16(23)19-9-4-3-8-18-13(2)22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyMNLDXNYRWDPWHJ-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.11
Rot. Bonds10

About N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide

N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide (PubChem CID 153330138) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide
PubChem CID153330138
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide
SMILESCC(=O)NCCCCNC(=O)COc1cccc(C=O)c1C(C)=O
InChIInChI=1S/C17H22N2O5/c1-12(21)17-14(10-20)6-5-7-15(17)24-11-16(23)19-9-4-3-8-18-13(2)22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyMNLDXNYRWDPWHJ-UHFFFAOYSA-N
XLogP1.11
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
CID 134050472
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
2-[2-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 80723765
2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide
CID 134595406
N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 106484641
N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide
CID 59447876
2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 178004235
2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
CID 112611471
2-acetyl-3-(difluoromethoxy)benzaldehyde
CID 170996257
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide?
The IUPAC name of N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide (CID 153330138) is N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide.
What is the SMILES notation for N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide?
The canonical SMILES for N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide is CC(=O)NCCCCNC(=O)COc1cccc(C=O)c1C(C)=O.
What is the InChIKey of N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide?
The InChIKey is MNLDXNYRWDPWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-12(21)17-14(10-20)6-5-7-15(17)24-11-16(23)19-9-4-3-8-18-13(2)22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide?
N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide has a molecular weight of 334.37 g/mol, XLogP of 1.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide is sourced from PubChem (CID 153330138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).