N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride

C17H27ClN2O4 — CID 119777591

IUPACN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)C2COCCN2)cc1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-17(2,11-19-16(20)13-10-23-8-7-18-13)12-5-6-14(21-3)15(9-12)22-4;/h5-6,9,13,18H,7-8,10-11H2,1-4H3,(H,19,20);1H
InChIKeyGVXGEPQHVXZEMK-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.51
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119777591) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119777591
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)C2COCCN2)cc1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-17(2,11-19-16(20)13-10-23-8-7-18-13)12-5-6-14(21-3)15(9-12)22-4;/h5-6,9,13,18H,7-8,10-11H2,1-4H3,(H,19,20);1H
InChIKeyGVXGEPQHVXZEMK-UHFFFAOYSA-N
XLogP1.51
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
N-(2-methyl-2-thiophen-2-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119787636
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate
CID 119789338
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915500
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 119771820
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119777599
N-[(2-methoxynaphthalen-1-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119709351
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792481
N-(4,5-dimethoxy-2-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119679081

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride (CID 119777591) is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride is COc1ccc(C(C)(C)CNC(=O)C2COCCN2)cc1OC.Cl.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is GVXGEPQHVXZEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-17(2,11-19-16(20)13-10-23-8-7-18-13)12-5-6-14(21-3)15(9-12)22-4;/h5-6,9,13,18H,7-8,10-11H2,1-4H3,(H,19,20);1H.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride?
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119777591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).