(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide

C19H26N2O3 — CID 26819070

IUPAC(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)NC[C@@H](c2ccco2)N(C)C)cc1C
InChIInChI=1S/C19H26N2O3/c1-13-8-9-16(11-14(13)2)24-15(3)19(22)20-12-17(21(4)5)18-7-6-10-23-18/h6-11,15,17H,12H2,1-5H3,(H,20,22)/t15-,17+/m1/s1
InChIKeyLMFVJPSUEMCQAI-WBVHZDCISA-N
MW330.43 g/mol
LogP3.08
Rot. Bonds7

About (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide

(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 26819070) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
PubChem CID26819070
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)NC[C@@H](c2ccco2)N(C)C)cc1C
InChIInChI=1S/C19H26N2O3/c1-13-8-9-16(11-14(13)2)24-15(3)19(22)20-12-17(21(4)5)18-7-6-10-23-18/h6-11,15,17H,12H2,1-5H3,(H,20,22)/t15-,17+/m1/s1
InChIKeyLMFVJPSUEMCQAI-WBVHZDCISA-N
XLogP3.08
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819063
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819067
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 55787034
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 41091288
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride
CID 52985251
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
2-(3,4-difluorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110908743
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 19114412
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dimethylphenoxy)propanamide
CID 78784104
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61248108

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide (CID 26819070) is (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide is Cc1ccc(O[C@H](C)C(=O)NC[C@@H](c2ccco2)N(C)C)cc1C.
What is the InChIKey of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is LMFVJPSUEMCQAI-WBVHZDCISA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-8-9-16(11-14(13)2)24-15(3)19(22)20-12-17(21(4)5)18-7-6-10-23-18/h6-11,15,17H,12H2,1-5H3,(H,20,22)/t15-,17+/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide?
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 330.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 26819070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).