(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide

C13H22N2O3 — CID 94775937

IUPAC(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NC[C@H](c1ccco1)N(C)C
InChIInChI=1S/C13H22N2O3/c1-5-17-10(2)13(16)14-9-11(15(3)4)12-7-6-8-18-12/h6-8,10-11H,5,9H2,1-4H3,(H,14,16)/t10-,11+/m0/s1
InChIKeyRGCQVRUKRFGYLC-WDEREUQCSA-N
MW254.33 g/mol
LogP1.42
Rot. Bonds7

About (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide

(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide (PubChem CID 94775937) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
PubChem CID94775937
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NC[C@H](c1ccco1)N(C)C
InChIInChI=1S/C13H22N2O3/c1-5-17-10(2)13(16)14-9-11(15(3)4)12-7-6-8-18-12/h6-8,10-11H,5,9H2,1-4H3,(H,14,16)/t10-,11+/m0/s1
InChIKeyRGCQVRUKRFGYLC-WDEREUQCSA-N
XLogP1.42
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 41091288
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819070
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819067
(2R)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819063
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 55787034
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61248108
6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide
CID 65292308
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51145103

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide?
The IUPAC name of (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide (CID 94775937) is (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide?
The canonical SMILES for (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide is CCO[C@@H](C)C(=O)NC[C@H](c1ccco1)N(C)C.
What is the InChIKey of (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide?
The InChIKey is RGCQVRUKRFGYLC-WDEREUQCSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-17-10(2)13(16)14-9-11(15(3)4)12-7-6-8-18-12/h6-8,10-11H,5,9H2,1-4H3,(H,14,16)/t10-,11+/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide?
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide has a molecular weight of 254.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide is sourced from PubChem (CID 94775937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).