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

C21H35ClN2O4 — CID 120784279

IUPAC2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCCOc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1OCCC.Cl
InChIInChI=1S/C21H34N2O4.ClH/c1-4-10-26-18-7-6-17(14-19(18)27-11-5-2)15(3)23-21(24)20(22)16-8-12-25-13-9-16;/h6-7,14-16,20H,4-5,8-13,22H2,1-3H3,(H,23,24);1H
InChIKeyIIYYFDUWSWLBSN-UHFFFAOYSA-N
MW414.97 g/mol
LogP3.62
Rot. Bonds10

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

2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120784279) has the molecular formula C21H35ClN2O4 and a molecular weight of 414.97 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120784279
Molecular FormulaC21H35ClN2O4
Molecular Weight414.97 g/mol
Exact Mass414.23
IUPAC Name2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCCOc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1OCCC.Cl
InChIInChI=1S/C21H34N2O4.ClH/c1-4-10-26-18-7-6-17(14-19(18)27-11-5-2)15(3)23-21(24)20(22)16-8-12-25-13-9-16;/h6-7,14-16,20H,4-5,8-13,22H2,1-3H3,(H,23,24);1H
InChIKeyIIYYFDUWSWLBSN-UHFFFAOYSA-N
XLogP3.62
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.97
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787225
2-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798291
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786627
2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792135
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119270790
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119688640
2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120785883
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119688642
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide
CID 120788514
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787967

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120784279) is 2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is CCCOc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1OCCC.Cl.
What is the InChIKey of 2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is IIYYFDUWSWLBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4.ClH/c1-4-10-26-18-7-6-17(14-19(18)27-11-5-2)15(3)23-21(24)20(22)16-8-12-25-13-9-16;/h6-7,14-16,20H,4-5,8-13,22H2,1-3H3,(H,23,24);1H.
What are the key properties of 2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 414.97 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120784279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).