N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide

C21H26N2O3 — CID 54821544

IUPACN-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2ccccc2OCCCC)cc1
InChIInChI=1S/C21H26N2O3/c1-3-5-15-26-20-9-7-6-8-19(20)23-21(24)16-22-17-10-12-18(13-11-17)25-14-4-2/h4,6-13,22H,2-3,5,14-16H2,1H3,(H,23,24)
InChIKeyLKKDSAGWBSLTBG-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.48
Rot. Bonds11

About N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide

N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide (PubChem CID 54821544) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
PubChem CID54821544
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2ccccc2OCCCC)cc1
InChIInChI=1S/C21H26N2O3/c1-3-5-15-26-20-9-7-6-8-19(20)23-21(24)16-22-17-10-12-18(13-11-17)25-14-4-2/h4,6-13,22H,2-3,5,14-16H2,1H3,(H,23,24)
InChIKeyLKKDSAGWBSLTBG-UHFFFAOYSA-N
XLogP4.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803
N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821181
N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820437
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54823386
2-(4-heptoxyanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54821930
2-(4-bromoanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54811194
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810176
4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840638

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide (CID 54821544) is N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide is C=CCOc1ccc(NCC(=O)Nc2ccccc2OCCCC)cc1.
What is the InChIKey of N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The InChIKey is LKKDSAGWBSLTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-5-15-26-20-9-7-6-8-19(20)23-21(24)16-22-17-10-12-18(13-11-17)25-14-4-2/h4,6-13,22H,2-3,5,14-16H2,1H3,(H,23,24).
What are the key properties of N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54821544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).