(2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide

C16H26N2O3 — CID 9410199

IUPAC(2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide
SMILESCCOc1ccc([C@@H](C)N[C@H](C)C(=O)NC)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-6-20-14-9-8-13(10-15(14)21-7-2)11(3)18-12(4)16(19)17-5/h8-12,18H,6-7H2,1-5H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyBEBYQNSSBMFSES-VXGBXAGGSA-N
MW294.40 g/mol
LogP2.27
Rot. Bonds8

About (2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide

(2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide (PubChem CID 9410199) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide
PubChem CID9410199
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide
SMILESCCOc1ccc([C@@H](C)N[C@H](C)C(=O)NC)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-6-20-14-9-8-13(10-15(14)21-7-2)11(3)18-12(4)16(19)17-5/h8-12,18H,6-7H2,1-5H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyBEBYQNSSBMFSES-VXGBXAGGSA-N
XLogP2.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(3,4-diethoxyphenyl)ethyl]-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 9410201
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide
CID 60674323
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771810
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide (CID 9410199) is (2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide is CCOc1ccc([C@@H](C)N[C@H](C)C(=O)NC)cc1OCC.
What is the InChIKey of (2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide?
The InChIKey is BEBYQNSSBMFSES-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-20-14-9-8-13(10-15(14)21-7-2)11(3)18-12(4)16(19)17-5/h8-12,18H,6-7H2,1-5H3,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide?
(2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide is sourced from PubChem (CID 9410199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).