N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide

C26H27N3O3 — CID 54838448

IUPACN-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)c1
InChIInChI=1S/C26H27N3O3/c1-19(2)18-32-24-11-7-8-22(16-24)28-25(30)17-27-21-14-12-20(13-15-21)26(31)29(3)23-9-5-4-6-10-23/h4-16,27H,1,17-18H2,2-3H3,(H,28,30)
InChIKeyWKNNCPRGOXGEKV-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.97
Rot. Bonds9

About N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide

N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 54838448) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID54838448
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)c1
InChIInChI=1S/C26H27N3O3/c1-19(2)18-32-24-11-7-8-22(16-24)28-25(30)17-27-21-14-12-20(13-15-21)26(31)29(3)23-9-5-4-6-10-23/h4-16,27H,1,17-18H2,2-3H3,(H,28,30)
InChIKeyWKNNCPRGOXGEKV-UHFFFAOYSA-N
XLogP4.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54825738
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838445
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-methyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826156
4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54824843
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822286
propyl 4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54812800
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838200

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide (CID 54838448) is N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide is C=C(C)COc1cccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)c1.
What is the InChIKey of N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is WKNNCPRGOXGEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19(2)18-32-24-11-7-8-22(16-24)28-25(30)17-27-21-14-12-20(13-15-21)26(31)29(3)23-9-5-4-6-10-23/h4-16,27H,1,17-18H2,2-3H3,(H,28,30).
What are the key properties of N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 4.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54838448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).