3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide

C14H22N2O4 — CID 106111842

IUPAC3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
SMILESCOCCOCc1cccc(NC(=O)C(CN)OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-6-7-20-10-11-4-3-5-12(8-11)16-14(17)13(9-15)19-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyUVDJTDOSKDGKGM-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.76
Rot. Bonds9

About 3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide

3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide (PubChem CID 106111842) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
PubChem CID106111842
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
SMILESCOCCOCc1cccc(NC(=O)C(CN)OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-6-7-20-10-11-4-3-5-12(8-11)16-14(17)13(9-15)19-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyUVDJTDOSKDGKGM-UHFFFAOYSA-N
XLogP0.76
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.76
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

3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide
CID 114145186
N-(3-acetylphenyl)-3-amino-2-methoxypropanamide
CID 106112568
(2S)-2-amino-N-[3-(2-butoxyethoxymethyl)phenyl]propanamide;hydrochloride
CID 119306540
4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933897
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
2-amino-3-methoxy-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]propanamide;hydrochloride
CID 120987747
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722
3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
CID 106111461
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide (CID 106111842) is 3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide is COCCOCc1cccc(NC(=O)C(CN)OC)c1.
What is the InChIKey of 3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide?
The InChIKey is UVDJTDOSKDGKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-6-7-20-10-11-4-3-5-12(8-11)16-14(17)13(9-15)19-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide?
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 106111842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).