N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide

C26H28N4O3 — CID 54833224

IUPACN-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
SMILESCC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-18(2)25(32)29-22-15-13-20(14-16-22)27-17-24(31)28-21-11-9-19(10-12-21)26(33)30(3)23-7-5-4-6-8-23/h4-16,18,27H,17H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyMLSHVOJLSGVCFE-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.61
Rot. Bonds8

About N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide

N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide (PubChem CID 54833224) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
PubChem CID54833224
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
SMILESCC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-18(2)25(32)29-22-15-13-20(14-16-22)27-17-24(31)28-21-11-9-19(10-12-21)26(33)30(3)23-7-5-4-6-8-23/h4-16,18,27H,17H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyMLSHVOJLSGVCFE-UHFFFAOYSA-N
XLogP4.61
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837413
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838604
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838200
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838199
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838445
N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837466
2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54839162
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838477

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide (CID 54833224) is N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide is CC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is MLSHVOJLSGVCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18(2)25(32)29-22-15-13-20(14-16-22)27-17-24(31)28-21-11-9-19(10-12-21)26(33)30(3)23-7-5-4-6-8-23/h4-16,18,27H,17H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide?
N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 444.54 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54833224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).