2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide

C27H30N4O3 — CID 54839162

IUPAC2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N4O3/c1-19(2)27(34)31-24-15-13-23(14-16-24)30-26(33)18-28-21-9-11-22(12-10-21)29-25(32)17-8-20-6-4-3-5-7-20/h3-7,9-16,19,28H,8,17-18H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyYDYAAMQOBJKDGD-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.90
Rot. Bonds10

About 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide

2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54839162) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54839162
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N4O3/c1-19(2)27(34)31-24-15-13-23(14-16-24)30-26(33)18-28-21-9-11-22(12-10-21)29-25(32)17-8-20-6-4-3-5-7-20/h3-7,9-16,19,28H,8,17-18H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyYDYAAMQOBJKDGD-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide with MolForge

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Related Compounds

N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54830534
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
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 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide (CID 54839162) is 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is YDYAAMQOBJKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-19(2)27(34)31-24-15-13-23(14-16-24)30-26(33)18-28-21-9-11-22(12-10-21)29-25(32)17-8-20-6-4-3-5-7-20/h3-7,9-16,19,28H,8,17-18H2,1-2H3,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 458.56 g/mol, XLogP of 4.90, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54839162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).