(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide

C19H30N2O3 — CID 95150032

IUPAC(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C19H30N2O3/c1-15(24-14-18-10-6-7-11-23-18)19(22)20-12-16-8-4-5-9-17(16)13-21(2)3/h4-5,8-9,15,18H,6-7,10-14H2,1-3H3,(H,20,22)/t15-,18-/m1/s1
InChIKeyHBMSLPGDKKGNHW-CRAIPNDOSA-N
MW334.46 g/mol
LogP2.34
Rot. Bonds8

About (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide

(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide (PubChem CID 95150032) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
PubChem CID95150032
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C19H30N2O3/c1-15(24-14-18-10-6-7-11-23-18)19(22)20-12-16-8-4-5-9-17(16)13-21(2)3/h4-5,8-9,15,18H,6-7,10-14H2,1-3H3,(H,20,22)/t15-,18-/m1/s1
InChIKeyHBMSLPGDKKGNHW-CRAIPNDOSA-N
XLogP2.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide with MolForge

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Related Compounds

3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 98755667
methyl (2S)-2-[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]-3-phenylpropanoate
CID 95156285
(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94813622
2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid
CID 125153162
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
CID 100842096
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
CID 119219939
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide (CID 95150032) is (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide is C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccccc1CN(C)C.
What is the InChIKey of (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The InChIKey is HBMSLPGDKKGNHW-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(24-14-18-10-6-7-11-23-18)19(22)20-12-16-8-4-5-9-17(16)13-21(2)3/h4-5,8-9,15,18H,6-7,10-14H2,1-3H3,(H,20,22)/t15-,18-/m1/s1.
What are the key properties of (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 95150032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).