N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide

C20H26N2O2 — CID 54828601

IUPACN-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide
SMILESCCC(C)NC(=O)CNc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-3-16(2)22-20(23)15-21-18-10-7-11-19(14-18)24-13-12-17-8-5-4-6-9-17/h4-11,14,16,21H,3,12-13,15H2,1-2H3,(H,22,23)
InChIKeyYPCBCQKPPMVQFY-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.63
Rot. Bonds9

About N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide

N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide (PubChem CID 54828601) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide
PubChem CID54828601
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide
SMILESCCC(C)NC(=O)CNc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-3-16(2)22-20(23)15-21-18-10-7-11-19(14-18)24-13-12-17-8-5-4-6-9-17/h4-11,14,16,21H,3,12-13,15H2,1-2H3,(H,22,23)
InChIKeyYPCBCQKPPMVQFY-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823902
N-butan-2-yl-2-(3-hexoxyanilino)acetamide
CID 54823184
N-(2,6-dimethylphenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828309
N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
CID 54826343
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828339
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793
N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54839558
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide (CID 54828601) is N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide is CCC(C)NC(=O)CNc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide?
The InChIKey is YPCBCQKPPMVQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-16(2)22-20(23)15-21-18-10-7-11-19(14-18)24-13-12-17-8-5-4-6-9-17/h4-11,14,16,21H,3,12-13,15H2,1-2H3,(H,22,23).
What are the key properties of N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide?
N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide is sourced from PubChem (CID 54828601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).