2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride

C21H29ClN2O4 — CID 52985251

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride
SMILESCc1ccc(OC(C)C(=O)NCC(c2ccco2)N2CCOCC2)cc1C.Cl
InChIInChI=1S/C21H28N2O4.ClH/c1-15-6-7-18(13-16(15)2)27-17(3)21(24)22-14-19(20-5-4-10-26-20)23-8-11-25-12-9-23;/h4-7,10,13,17,19H,8-9,11-12,14H2,1-3H3,(H,22,24);1H
InChIKeyMENSFOVSAQXENL-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.28
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride

2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride (PubChem CID 52985251) has the molecular formula C21H29ClN2O4 and a molecular weight of 408.93 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride
PubChem CID52985251
Molecular FormulaC21H29ClN2O4
Molecular Weight408.93 g/mol
Exact Mass408.18
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride
SMILESCc1ccc(OC(C)C(=O)NCC(c2ccco2)N2CCOCC2)cc1C.Cl
InChIInChI=1S/C21H28N2O4.ClH/c1-15-6-7-18(13-16(15)2)27-17(3)21(24)22-14-19(20-5-4-10-26-20)23-8-11-25-12-9-23;/h4-7,10,13,17,19H,8-9,11-12,14H2,1-3H3,(H,22,24);1H
InChIKeyMENSFOVSAQXENL-UHFFFAOYSA-N
XLogP3.28
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 35128117
(2R)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819063
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819067
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819070
ethyl N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]carbamate
CID 112502966
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methylbenzamide;hydrochloride
CID 52984760
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)propanamide
CID 51283112
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 51628683
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 35341970
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 43843785
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 26819379

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride (CID 52985251) is 2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride is Cc1ccc(OC(C)C(=O)NCC(c2ccco2)N2CCOCC2)cc1C.Cl.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride?
The InChIKey is MENSFOVSAQXENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4.ClH/c1-15-6-7-18(13-16(15)2)27-17(3)21(24)22-14-19(20-5-4-10-26-20)23-8-11-25-12-9-23;/h4-7,10,13,17,19H,8-9,11-12,14H2,1-3H3,(H,22,24);1H.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride?
2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide;hydrochloride is sourced from PubChem (CID 52985251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).