N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide

C17H24N2O4 — CID 749508

IUPACN-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide
SMILESC[C@H](NC(=O)CCN1CCOCC1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C17H24N2O4/c1-13(16-12-22-14-4-2-3-5-15(14)23-16)18-17(20)6-7-19-8-10-21-11-9-19/h2-5,13,16H,6-12H2,1H3,(H,18,20)/t13-,16+/m0/s1
InChIKeyBKEBYDMLYSCRCH-XJKSGUPXSA-N
MW320.39 g/mol
LogP1.05
Rot. Bonds5

About N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide

N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide (PubChem CID 749508) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide
PubChem CID749508
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide
SMILESC[C@H](NC(=O)CCN1CCOCC1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C17H24N2O4/c1-13(16-12-22-14-4-2-3-5-15(14)23-16)18-17(20)6-7-19-8-10-21-11-9-19/h2-5,13,16H,6-12H2,1H3,(H,18,20)/t13-,16+/m0/s1
InChIKeyBKEBYDMLYSCRCH-XJKSGUPXSA-N
XLogP1.05
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]decanediamide
CID 7564254
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-piperidin-1-ylacetamide
CID 847339
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]acetamide
CID 3135715
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-phenoxypropanamide
CID 746117
N-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 1114583
(2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide
CID 163068888
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-morpholin-4-ylpropanamide
CID 91764597
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]furan-2-carboxamide
CID 878326
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35235363
N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide
CID 2951203
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(2-methylpropoxy)benzamide
CID 1120179

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide (CID 749508) is N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide is C[C@H](NC(=O)CCN1CCOCC1)[C@H]1COc2ccccc2O1.
What is the InChIKey of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide?
The InChIKey is BKEBYDMLYSCRCH-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13(16-12-22-14-4-2-3-5-15(14)23-16)18-17(20)6-7-19-8-10-21-11-9-19/h2-5,13,16H,6-12H2,1H3,(H,18,20)/t13-,16+/m0/s1.
What are the key properties of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide?
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide has a molecular weight of 320.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 749508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).