2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide

C16H23N3O4 — CID 113175889

IUPAC2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C(C)=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H23N3O4/c1-12(20)18-14-5-7-15(8-6-14)19(13(2)21)11-16(22)17-9-4-10-23-3/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,20)
InChIKeyPINAMVWYRRVFBL-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.15
Rot. Bonds8

About 2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide

2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 113175889) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide
PubChem CID113175889
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C(C)=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H23N3O4/c1-12(20)18-14-5-7-15(8-6-14)19(13(2)21)11-16(22)17-9-4-10-23-3/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,20)
InChIKeyPINAMVWYRRVFBL-UHFFFAOYSA-N
XLogP1.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N,4-diacetylanilino)-N-(2-methoxyethyl)acetamide
CID 113175557
2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide
CID 113179416
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide
CID 113169585
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
2-(4-acetamidoanilino)-N-(3-methoxypropyl)propanamide
CID 43112708
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide (CID 113175889) is 2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C(C)=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is PINAMVWYRRVFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-12(20)18-14-5-7-15(8-6-14)19(13(2)21)11-16(22)17-9-4-10-23-3/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,20).
What are the key properties of 2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide?
2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 113175889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).