4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide

C24H24N4O4 — CID 41190635

IUPAC4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C24H24N4O4/c1-15(23(30)27-19-7-3-16(4-8-19)22(25)29)26-18-9-5-17(6-10-18)24(31)28-20-11-13-21(32-2)14-12-20/h3-15,26H,1-2H3,(H2,25,29)(H,27,30)(H,28,31)/t15-/m1/s1
InChIKeyZVKWQUIXLIBGJL-OAHLLOKOSA-N
MW432.48 g/mol
LogP3.49
Rot. Bonds8

About 4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide

4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide (PubChem CID 41190635) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide
PubChem CID41190635
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C24H24N4O4/c1-15(23(30)27-19-7-3-16(4-8-19)22(25)29)26-18-9-5-17(6-10-18)24(31)28-20-11-13-21(32-2)14-12-20/h3-15,26H,1-2H3,(H2,25,29)(H,27,30)(H,28,31)/t15-/m1/s1
InChIKeyZVKWQUIXLIBGJL-OAHLLOKOSA-N
XLogP3.49
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 17498842
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 25355176
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
4-[2-[4-(2,2,2-trifluoroethoxy)anilino]propanoylamino]benzamide
CID 42887485
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
4-[2-(4-phenylanilino)propanoylamino]benzamide
CID 78667343
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788358
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide (CID 41190635) is 4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide?
The InChIKey is ZVKWQUIXLIBGJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-15(23(30)27-19-7-3-16(4-8-19)22(25)29)26-18-9-5-17(6-10-18)24(31)28-20-11-13-21(32-2)14-12-20/h3-15,26H,1-2H3,(H2,25,29)(H,27,30)(H,28,31)/t15-/m1/s1.
What are the key properties of 4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide?
4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide has a molecular weight of 432.48 g/mol, XLogP of 3.49, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide is sourced from PubChem (CID 41190635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).