N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide

C15H22N2O4 — CID 119421308

IUPACN-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
SMILESCOc1ccc(N)c(NC(=O)C(C)OCC2CCCO2)c1
InChIInChI=1S/C15H22N2O4/c1-10(21-9-12-4-3-7-20-12)15(18)17-14-8-11(19-2)5-6-13(14)16/h5-6,8,10,12H,3-4,7,9,16H2,1-2H3,(H,17,18)
InChIKeyBXTQXNXVLUITGF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.80
Rot. Bonds6

About N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide

N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 119421308) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID119421308
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
SMILESCOc1ccc(N)c(NC(=O)C(C)OCC2CCCO2)c1
InChIInChI=1S/C15H22N2O4/c1-10(21-9-12-4-3-7-20-12)15(18)17-14-8-11(19-2)5-6-13(14)16/h5-6,8,10,12H,3-4,7,9,16H2,1-2H3,(H,17,18)
InChIKeyBXTQXNXVLUITGF-UHFFFAOYSA-N
XLogP1.80
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
N-(2-amino-4-methoxyphenyl)-2-(cyclopentylmethoxy)propanamide
CID 66321735
N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide
CID 119421306
N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 51126483
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethoxy)propanamide
CID 119421324
(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide (CID 119421308) is N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide is COc1ccc(N)c(NC(=O)C(C)OCC2CCCO2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is BXTQXNXVLUITGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(21-9-12-4-3-7-20-12)15(18)17-14-8-11(19-2)5-6-13(14)16/h5-6,8,10,12H,3-4,7,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 294.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 119421308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).