N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide

C27H31N3O3 — CID 54844265

IUPACN-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C27H31N3O3/c1-27(2,3)30-26(32)21-11-7-12-22(17-21)28-19-25(31)29-23-13-8-14-24(18-23)33-16-15-20-9-5-4-6-10-20/h4-14,17-18,28H,15-16,19H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyLZESKFLEBMTBRO-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.89
Rot. Bonds9

About N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide

N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54844265) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
PubChem CID54844265
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C27H31N3O3/c1-27(2,3)30-26(32)21-11-7-12-22(17-21)28-19-25(31)29-23-13-8-14-24(18-23)33-16-15-20-9-5-4-6-10-20/h4-14,17-18,28H,15-16,19H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyLZESKFLEBMTBRO-UHFFFAOYSA-N
XLogP4.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54839558
3-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844364
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54836267
3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844584
N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54841930
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828339
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
N-(2,6-dimethylphenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828309
N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide
CID 87006557
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide (CID 54844265) is N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is LZESKFLEBMTBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-27(2,3)30-26(32)21-11-7-12-22(17-21)28-19-25(31)29-23-13-8-14-24(18-23)33-16-15-20-9-5-4-6-10-20/h4-14,17-18,28H,15-16,19H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 445.56 g/mol, XLogP of 4.89, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54844265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).