N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide

C20H30N2O5 — CID 9419010

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCCOc1ccc([C@H](C)NC(=O)CCC(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C20H30N2O5/c1-4-26-17-7-6-16(14-18(17)27-5-2)15(3)21-19(23)8-9-20(24)22-10-12-25-13-11-22/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyGSLCHIKPAJPRAW-HNNXBMFYSA-N
MW378.47 g/mol
LogP2.30
Rot. Bonds9

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 9419010) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID9419010
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCCOc1ccc([C@H](C)NC(=O)CCC(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C20H30N2O5/c1-4-26-17-7-6-16(14-18(17)27-5-2)15(3)21-19(23)8-9-20(24)22-10-12-25-13-11-22/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyGSLCHIKPAJPRAW-HNNXBMFYSA-N
XLogP2.30
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119682983
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 9092058
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 9437337
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55787245

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide (CID 9419010) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide is CCOc1ccc([C@H](C)NC(=O)CCC(=O)N2CCOCC2)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is GSLCHIKPAJPRAW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-4-26-17-7-6-16(14-18(17)27-5-2)15(3)21-19(23)8-9-20(24)22-10-12-25-13-11-22/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 378.47 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 9419010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).