N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide

C15H24N2O4 — CID 18071109

IUPACN-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOCCOC(C)C)c(N)c1
InChIInChI=1S/C15H24N2O4/c1-11(2)21-9-8-20-7-6-15(18)17-14-5-4-12(19-3)10-13(14)16/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18)
InChIKeyPDXUCXNHRKADKP-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.05
Rot. Bonds9

About N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide

N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide (PubChem CID 18071109) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
PubChem CID18071109
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOCCOC(C)C)c(N)c1
InChIInChI=1S/C15H24N2O4/c1-11(2)21-9-8-20-7-6-15(18)17-14-5-4-12(19-3)10-13(14)16/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18)
InChIKeyPDXUCXNHRKADKP-UHFFFAOYSA-N
XLogP2.05
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66276928
N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66232216
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide
CID 43188465
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide (CID 18071109) is N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide is COc1ccc(NC(=O)CCOCCOC(C)C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide?
The InChIKey is PDXUCXNHRKADKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(2)21-9-8-20-7-6-15(18)17-14-5-4-12(19-3)10-13(14)16/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide?
N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide is sourced from PubChem (CID 18071109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).