N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide

C20H25N3O2 — CID 119949941

IUPACN-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-13(2)20(25)22-16-10-9-14(3)18(11-16)23-19(24)12-17(21)15-7-5-4-6-8-15/h4-11,13,17H,12,21H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyIYJYOGFXHRSEHV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.62
Rot. Bonds6

About N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide

N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide (PubChem CID 119949941) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
PubChem CID119949941
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-13(2)20(25)22-16-10-9-14(3)18(11-16)23-19(24)12-17(21)15-7-5-4-6-8-15/h4-11,13,17H,12,21H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyIYJYOGFXHRSEHV-UHFFFAOYSA-N
XLogP3.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
CID 119949945
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
CID 55765150
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
CID 119954106
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708058
3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride
CID 119950083
2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108662
N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708659
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide (CID 119949941) is N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CC(N)c1ccccc1.
What is the InChIKey of N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is IYJYOGFXHRSEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)20(25)22-16-10-9-14(3)18(11-16)23-19(24)12-17(21)15-7-5-4-6-8-15/h4-11,13,17H,12,21H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide?
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 119949941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).