2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C19H31ClN2O4 — CID 120787225

IUPAC2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCCOc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1OC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-4-9-25-16-6-5-15(12-17(16)23-3)13(2)21-19(22)18(20)14-7-10-24-11-8-14;/h5-6,12-14,18H,4,7-11,20H2,1-3H3,(H,21,22);1H
InChIKeyYLPITIVCGRBBRU-UHFFFAOYSA-N
MW386.92 g/mol
LogP2.84
Rot. Bonds8

About 2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120787225) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120787225
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC Name2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCCOc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1OC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-4-9-25-16-6-5-15(12-17(16)23-3)13(2)21-19(22)18(20)14-7-10-24-11-8-14;/h5-6,12-14,18H,4,7-11,20H2,1-3H3,(H,21,22);1H
InChIKeyYLPITIVCGRBBRU-UHFFFAOYSA-N
XLogP2.84
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784279
2-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798291
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786627
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787967
2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 119736427
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119722949
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094
(S)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171243693

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120787225) is 2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is CCCOc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is YLPITIVCGRBBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/c1-4-9-25-16-6-5-15(12-17(16)23-3)13(2)21-19(22)18(20)14-7-10-24-11-8-14;/h5-6,12-14,18H,4,7-11,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120787225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).