(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide

C18H25NO4 — CID 98755667

IUPAC(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C18H25NO4/c1-13(23-12-14-6-4-5-10-21-14)18(20)19-16-9-11-22-17-8-3-2-7-15(16)17/h2-3,7-8,13-14,16H,4-6,9-12H2,1H3,(H,19,20)/t13-,14+,16+/m0/s1
InChIKeyVESZSFCGISNOPU-SQWLQELKSA-N
MW319.40 g/mol
LogP2.60
Rot. Bonds5

About (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide

(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide (PubChem CID 98755667) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
PubChem CID98755667
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C18H25NO4/c1-13(23-12-14-6-4-5-10-21-14)18(20)19-16-9-11-22-17-8-3-2-7-15(16)17/h2-3,7-8,13-14,16H,4-6,9-12H2,1H3,(H,19,20)/t13-,14+,16+/m0/s1
InChIKeyVESZSFCGISNOPU-SQWLQELKSA-N
XLogP2.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077858
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CID 95150032
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94026794
(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95271771
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-phenylphenoxy)propanamide
CID 46421464
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 55526351
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 4-prop-2-enoxybenzoate
CID 55569612
(2S,3R)-3-(cyclopentylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxybutanamide
CID 146094021
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide (CID 98755667) is (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide is C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The InChIKey is VESZSFCGISNOPU-SQWLQELKSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13(23-12-14-6-4-5-10-21-14)18(20)19-16-9-11-22-17-8-3-2-7-15(16)17/h2-3,7-8,13-14,16H,4-6,9-12H2,1H3,(H,19,20)/t13-,14+,16+/m0/s1.
What are the key properties of (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide has a molecular weight of 319.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 98755667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).