N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide

C27H30N4O3 — CID 54839402

IUPACN-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)c1C
InChIInChI=1S/C27H30N4O3/c1-3-25(32)30-23-10-7-11-24(19(23)2)31-27(34)18-28-21-13-15-22(16-14-21)29-26(33)17-12-20-8-5-4-6-9-20/h4-11,13-16,28H,3,12,17-18H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyVTVIBNXHSPZXIJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.97
Rot. Bonds10

About N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide

N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54839402) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54839402
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)c1C
InChIInChI=1S/C27H30N4O3/c1-3-25(32)30-23-10-7-11-24(19(23)2)31-27(34)18-28-21-13-15-22(16-14-21)29-26(33)17-12-20-8-5-4-6-9-20/h4-11,13-16,28H,3,12,17-18H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyVTVIBNXHSPZXIJ-UHFFFAOYSA-N
XLogP4.97
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823941
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54839162
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684
N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54839477
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide (CID 54839402) is N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide is CCC(=O)Nc1cccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)c1C.
What is the InChIKey of N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is VTVIBNXHSPZXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-3-25(32)30-23-10-7-11-24(19(23)2)31-27(34)18-28-21-13-15-22(16-14-21)29-26(33)17-12-20-8-5-4-6-9-20/h4-11,13-16,28H,3,12,17-18H2,1-2H3,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 458.56 g/mol, XLogP of 4.97, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54839402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).