N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide

C17H22N2O2 — CID 26834391

IUPACN-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@H](c2ccc(C)o2)N(C)C)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-14(10-12)17(20)18-11-15(19(3)4)16-9-8-13(2)21-16/h5-10,15H,11H2,1-4H3,(H,18,20)/t15-/m1/s1
InChIKeyZRTZZEKARMKKLA-OAHLLOKOSA-N
MW286.38 g/mol
LogP2.93
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide

N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide (PubChem CID 26834391) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
PubChem CID26834391
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@H](c2ccc(C)o2)N(C)C)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-14(10-12)17(20)18-11-15(19(3)4)16-9-8-13(2)21-16/h5-10,15H,11H2,1-4H3,(H,18,20)/t15-/m1/s1
InChIKeyZRTZZEKARMKKLA-OAHLLOKOSA-N
XLogP2.93
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 22509557
4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 26834395
3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide
CID 26834913
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-ethoxybenzamide
CID 26834445
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide
CID 26834441
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide;hydrochloride
CID 146052539
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide (CID 26834391) is N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC[C@H](c2ccc(C)o2)N(C)C)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide?
The InChIKey is ZRTZZEKARMKKLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-5-7-14(10-12)17(20)18-11-15(19(3)4)16-9-8-13(2)21-16/h5-10,15H,11H2,1-4H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide?
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 26834391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).