N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide

C19H28N2O3 — CID 177095457

IUPACN-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cc(C(=O)C(C)C)cc(C(=O)C(C)C)c1
InChIInChI=1S/C19H28N2O3/c1-11(2)18(23)14-7-15(19(24)12(3)4)9-16(8-14)21-17(22)10-20-13(5)6/h7-9,11-13,20H,10H2,1-6H3,(H,21,22)
InChIKeyVOIJMEJJUOCYFV-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.30
Rot. Bonds8

About N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide

N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 177095457) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide
PubChem CID177095457
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cc(C(=O)C(C)C)cc(C(=O)C(C)C)c1
InChIInChI=1S/C19H28N2O3/c1-11(2)18(23)14-7-15(19(24)12(3)4)9-16(8-14)21-17(22)10-20-13(5)6/h7-9,11-13,20H,10H2,1-6H3,(H,21,22)
InChIKeyVOIJMEJJUOCYFV-UHFFFAOYSA-N
XLogP3.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817579
2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
CID 54818036
1-[3,5-bis(propan-2-ylamino)phenyl]-2-methylpropan-1-one;methane;2-methyl-1-[3-(2-methylpropanoyl)-5-(propan-2-ylamino)phenyl]propan-1-one;1-N,3-N,5-N-tri(propan-2-yl)benzene-1,3,5-triamine
CID 161220157
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
CID 61274883
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 65483769
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane
CID 142455262
1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one
CID 146976861

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide (CID 177095457) is N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cc(C(=O)C(C)C)cc(C(=O)C(C)C)c1.
What is the InChIKey of N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is VOIJMEJJUOCYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-11(2)18(23)14-7-15(19(24)12(3)4)9-16(8-14)21-17(22)10-20-13(5)6/h7-9,11-13,20H,10H2,1-6H3,(H,21,22).
What are the key properties of N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide?
N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 177095457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).