N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide

C14H22N2O3 — CID 62688423

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NCc1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O3/c1-3-7-19-8-6-14(17)16-10-11-9-12(15)4-5-13(11)18-2/h4-5,9H,3,6-8,10,15H2,1-2H3,(H,16,17)
InChIKeyNYSYTUARIDAJRK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.71
Rot. Bonds8

About N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide

N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide (PubChem CID 62688423) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide
PubChem CID62688423
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NCc1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O3/c1-3-7-19-8-6-14(17)16-10-11-9-12(15)4-5-13(11)18-2/h4-5,9H,3,6-8,10,15H2,1-2H3,(H,16,17)
InChIKeyNYSYTUARIDAJRK-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(5-ethyl-2-methoxyphenyl)methyl]pentanamide
CID 110781781
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 61014070
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide
CID 143586578
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
N-[(5-amino-2-hydroxyphenyl)methyl]octanamide
CID 43548602
4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide (CID 62688423) is N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide is CCCOCCC(=O)NCc1cc(N)ccc1OC.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide?
The InChIKey is NYSYTUARIDAJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-7-19-8-6-14(17)16-10-11-9-12(15)4-5-13(11)18-2/h4-5,9H,3,6-8,10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide?
N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide is sourced from PubChem (CID 62688423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).