N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide

C15H24N2O3 — CID 119421306

IUPACN-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide
SMILESCOc1ccc(N)c(NC(=O)C(C)OCCC(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-10(2)7-8-20-11(3)15(18)17-14-9-12(19-4)5-6-13(14)16/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyMISOGCYLWOZCJT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.67
Rot. Bonds7

About N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide

N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide (PubChem CID 119421306) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide
PubChem CID119421306
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide
SMILESCOc1ccc(N)c(NC(=O)C(C)OCCC(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-10(2)7-8-20-11(3)15(18)17-14-9-12(19-4)5-6-13(14)16/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyMISOGCYLWOZCJT-UHFFFAOYSA-N
XLogP2.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethoxy)propanamide
CID 119421324
N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
CID 43127174
N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119420848
N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119421308
N-(2-amino-5-methoxyphenyl)-2-ethylhexanamide;hydrochloride
CID 120607557
N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005336
N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 119421506
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-4-methoxyphenyl)-2-(cyclopentylmethoxy)propanamide
CID 66321735
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113463029
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119420984

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide (CID 119421306) is N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide is COc1ccc(N)c(NC(=O)C(C)OCCC(C)C)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide?
The InChIKey is MISOGCYLWOZCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)7-8-20-11(3)15(18)17-14-9-12(19-4)5-6-13(14)16/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide?
N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide has a molecular weight of 280.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide is sourced from PubChem (CID 119421306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).