N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide

C16H27N3O — CID 62175664

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C16H27N3O/c1-6-17-14-10-8-7-9-13(14)16(20)18-15(12(2)3)11-19(4)5/h7-10,12,15,17H,6,11H2,1-5H3,(H,18,20)
InChIKeyCMPFOIAESJHFEC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.43
Rot. Bonds7

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide (PubChem CID 62175664) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide
PubChem CID62175664
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C16H27N3O/c1-6-17-14-10-8-7-9-13(14)16(20)18-15(12(2)3)11-19(4)5/h7-10,12,15,17H,6,11H2,1-5H3,(H,18,20)
InChIKeyCMPFOIAESJHFEC-UHFFFAOYSA-N
XLogP2.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide
CID 107025299
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide
CID 103190086
N-but-3-yn-2-yl-2-(ethylamino)benzamide
CID 114418246
methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63107958
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105385519
ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63108435
2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 61479880
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
2-(ethylamino)-N-methyl-N-(3-methylbutyl)benzamide
CID 62177256
2-(ethylamino)-N-(2-methylpropoxy)benzamide
CID 82723063
2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide (CID 62175664) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide?
The InChIKey is CMPFOIAESJHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-17-14-10-8-7-9-13(14)16(20)18-15(12(2)3)11-19(4)5/h7-10,12,15,17H,6,11H2,1-5H3,(H,18,20).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide is sourced from PubChem (CID 62175664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).