N-(2,2-diethoxyethyl)-2-(propylamino)benzamide

C16H26N2O3 — CID 79538539

IUPACN-(2,2-diethoxyethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCC(OCC)OCC
InChIInChI=1S/C16H26N2O3/c1-4-11-17-14-10-8-7-9-13(14)16(19)18-12-15(20-5-2)21-6-3/h7-10,15,17H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyUOIRMZYNUQFYGU-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.64
Rot. Bonds10

About N-(2,2-diethoxyethyl)-2-(propylamino)benzamide

N-(2,2-diethoxyethyl)-2-(propylamino)benzamide (PubChem CID 79538539) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-(propylamino)benzamide
PubChem CID79538539
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(2,2-diethoxyethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCC(OCC)OCC
InChIInChI=1S/C16H26N2O3/c1-4-11-17-14-10-8-7-9-13(14)16(19)18-12-15(20-5-2)21-6-3/h7-10,15,17H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyUOIRMZYNUQFYGU-UHFFFAOYSA-N
XLogP2.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-2-(propylamino)benzamide
CID 63297170
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
CID 113464736
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
CID 62179332
ethyl 2-(propylamino)benzoate
CID 15662762
N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
CID 63501540
methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414
N-(2,2-diethoxyethyl)-1H-indole-4-carboxamide
CID 79548414

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-(propylamino)benzamide?
The IUPAC name of N-(2,2-diethoxyethyl)-2-(propylamino)benzamide (CID 79538539) is N-(2,2-diethoxyethyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NCC(OCC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-(propylamino)benzamide?
The InChIKey is UOIRMZYNUQFYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-11-17-14-10-8-7-9-13(14)16(19)18-12-15(20-5-2)21-6-3/h7-10,15,17H,4-6,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-(2,2-diethoxyethyl)-2-(propylamino)benzamide?
N-(2,2-diethoxyethyl)-2-(propylamino)benzamide has a molecular weight of 294.40 g/mol, XLogP of 2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-(propylamino)benzamide is sourced from PubChem (CID 79538539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).