2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide

C18H28N2O4 — CID 120790284

IUPAC2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide
SMILESCOc1ccc(CCCNC(=O)C(N)C2CCOCC2)cc1OC
InChIInChI=1S/C18H28N2O4/c1-22-15-6-5-13(12-16(15)23-2)4-3-9-20-18(21)17(19)14-7-10-24-11-8-14/h5-6,12,14,17H,3-4,7-11,19H2,1-2H3,(H,20,21)
InChIKeyMBSRGGZXEDWWLU-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.51
Rot. Bonds8

About 2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide

2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide (PubChem CID 120790284) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide
PubChem CID120790284
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide
SMILESCOc1ccc(CCCNC(=O)C(N)C2CCOCC2)cc1OC
InChIInChI=1S/C18H28N2O4/c1-22-15-6-5-13(12-16(15)23-2)4-3-9-20-18(21)17(19)14-7-10-24-11-8-14/h5-6,12,14,17H,3-4,7-11,19H2,1-2H3,(H,20,21)
InChIKeyMBSRGGZXEDWWLU-UHFFFAOYSA-N
XLogP1.51
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120792906
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786627
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792481
2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120790520
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)propanamide
CID 66750690
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide
CID 75392355
N-[3-(3,4-dimethoxyphenyl)propyl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 136514338
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784239

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide (CID 120790284) is 2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide is COc1ccc(CCCNC(=O)C(N)C2CCOCC2)cc1OC.
What is the InChIKey of 2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide?
The InChIKey is MBSRGGZXEDWWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-22-15-6-5-13(12-16(15)23-2)4-3-9-20-18(21)17(19)14-7-10-24-11-8-14/h5-6,12,14,17H,3-4,7-11,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide has a molecular weight of 336.43 g/mol, XLogP of 1.51, 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-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120790284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).