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

C18H29ClN2O4 — CID 120786627

IUPAC2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)C(N)C2CCOCC2)cc1OC.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-3-8-24-15-5-4-13(11-16(15)22-2)12-20-18(21)17(19)14-6-9-23-10-7-14;/h4-5,11,14,17H,3,6-10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyDKKJDFAOKIGHMI-UHFFFAOYSA-N
MW372.89 g/mol
LogP2.28
Rot. Bonds8

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

2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120786627) has the molecular formula C18H29ClN2O4 and a molecular weight of 372.89 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120786627
Molecular FormulaC18H29ClN2O4
Molecular Weight372.89 g/mol
Exact Mass372.18
IUPAC Name2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)C(N)C2CCOCC2)cc1OC.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-3-8-24-15-5-4-13(11-16(15)22-2)12-20-18(21)17(19)14-6-9-23-10-7-14;/h4-5,11,14,17H,3,6-10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyDKKJDFAOKIGHMI-UHFFFAOYSA-N
XLogP2.28
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120792906
2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787225
2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120790520
2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide
CID 120790284
2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784279
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 55635162
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792481
2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797875
2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797991

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120786627) is 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride is CCCOc1ccc(CNC(=O)C(N)C2CCOCC2)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is DKKJDFAOKIGHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4.ClH/c1-3-8-24-15-5-4-13(11-16(15)22-2)12-20-18(21)17(19)14-6-9-23-10-7-14;/h4-5,11,14,17H,3,6-10,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 372.89 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120786627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).