N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide

C22H28N2O3 — CID 51218463

IUPACN-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide
SMILESCC(C)COCCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-17(2)16-27-14-6-13-23-21(25)15-24-22(26)20-11-9-19(10-12-20)18-7-4-3-5-8-18/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBLOSCPOYSYTQMJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.26
Rot. Bonds10

About N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide

N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 51218463) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID51218463
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide
SMILESCC(C)COCCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-17(2)16-27-14-6-13-23-21(25)15-24-22(26)20-11-9-19(10-12-20)18-7-4-3-5-8-18/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBLOSCPOYSYTQMJ-UHFFFAOYSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 43048234
N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
CID 103606595
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide
CID 134798872
N-(2-amino-2-oxoethyl)-4-[[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]methyl]benzamide
CID 111400839
N-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55959369
4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide
CID 32647614
N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
CID 17483571
4-bromo-N-[2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111402411
2-(methylamino)-N-[3-(2-methylpropoxy)propyl]acetamide;hydrochloride
CID 119693610
2-anilino-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738429

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide (CID 51218463) is N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide is CC(C)COCCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is BLOSCPOYSYTQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(2)16-27-14-6-13-23-21(25)15-24-22(26)20-11-9-19(10-12-20)18-7-4-3-5-8-18/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 51218463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).