2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide

C21H25N3O3 — CID 167920354

IUPAC2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide
SMILESCC(=O)N(Cc1ccc(NC(=O)Cc2ccccc2C(N)=O)cc1)C(C)C
InChIInChI=1S/C21H25N3O3/c1-14(2)24(15(3)25)13-16-8-10-18(11-9-16)23-20(26)12-17-6-4-5-7-19(17)21(22)27/h4-11,14H,12-13H2,1-3H3,(H2,22,27)(H,23,26)
InChIKeyYUJCTRDLJAMILB-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.72
Rot. Bonds7

About 2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide

2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide (PubChem CID 167920354) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide
PubChem CID167920354
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide
SMILESCC(=O)N(Cc1ccc(NC(=O)Cc2ccccc2C(N)=O)cc1)C(C)C
InChIInChI=1S/C21H25N3O3/c1-14(2)24(15(3)25)13-16-8-10-18(11-9-16)23-20(26)12-17-6-4-5-7-19(17)21(22)27/h4-11,14H,12-13H2,1-3H3,(H2,22,27)(H,23,26)
InChIKeyYUJCTRDLJAMILB-UHFFFAOYSA-N
XLogP2.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
(2S)-N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-2-amino-4-methylpentanamide
CID 119792493
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide
CID 120592672
N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-[2-[4-[di(propan-2-yl)carbamoyl]anilino]-2-oxoethyl]benzoic acid
CID 10022786
5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 119185766
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 119792447
N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide
CID 108951690
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
CID 12558883
2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzamide
CID 78814473
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide (CID 167920354) is 2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide is CC(=O)N(Cc1ccc(NC(=O)Cc2ccccc2C(N)=O)cc1)C(C)C.
What is the InChIKey of 2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide?
The InChIKey is YUJCTRDLJAMILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(2)24(15(3)25)13-16-8-10-18(11-9-16)23-20(26)12-17-6-4-5-7-19(17)21(22)27/h4-11,14H,12-13H2,1-3H3,(H2,22,27)(H,23,26).
What are the key properties of 2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide?
2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 167920354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).