N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide

C16H27N3O — CID 103190086

IUPACN-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)N(CC)C(C)CN(C)C
InChIInChI=1S/C16H27N3O/c1-6-17-15-11-9-8-10-14(15)16(20)19(7-2)13(3)12-18(4)5/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyDOVAQIFMTYFMGR-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.53
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide (PubChem CID 103190086) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide
PubChem CID103190086
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)N(CC)C(C)CN(C)C
InChIInChI=1S/C16H27N3O/c1-6-17-15-11-9-8-10-14(15)16(20)19(7-2)13(3)12-18(4)5/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyDOVAQIFMTYFMGR-UHFFFAOYSA-N
XLogP2.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-methyl-N-(3-methylbutyl)benzamide
CID 62177256
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-[2-(methylamino)ethyl]benzamide
CID 103188613
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)pyridine-3-carboxamide
CID 103191074
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide
CID 62175664
2-(ethylamino)-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 62175910
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 103191115
2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
CID 103190523
N-[2-(dimethylamino)-2-oxoethyl]-2-(ethylamino)-N-methylbenzamide
CID 55176895
N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
CID 55061041
3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 103191078
N-(2-methylpropyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176891
2-(ethylamino)-N-methyl-N-(2-phenylethyl)benzamide
CID 63108183

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide (CID 103190086) is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)N(CC)C(C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide?
The InChIKey is DOVAQIFMTYFMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-17-15-11-9-8-10-14(15)16(20)19(7-2)13(3)12-18(4)5/h8-11,13,17H,6-7,12H2,1-5H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide?
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide is sourced from PubChem (CID 103190086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).