N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide

C15H25N3O2 — CID 43271750

IUPACN-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)N(C)CC(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)9-18(4)11(3)15(19)17-13-7-6-12(16)8-14(13)20-5/h6-8,10-11H,9,16H2,1-5H3,(H,17,19)
InChIKeyHEYUERJHTCBIRC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.19
Rot. Bonds6

About N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide

N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide (PubChem CID 43271750) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
PubChem CID43271750
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)N(C)CC(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)9-18(4)11(3)15(19)17-13-7-6-12(16)8-14(13)20-5/h6-8,10-11H,9,16H2,1-5H3,(H,17,19)
InChIKeyHEYUERJHTCBIRC-UHFFFAOYSA-N
XLogP2.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.19
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-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373847
N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
CID 43186146
N-(4-amino-2-methoxyphenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81037444
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583
N-(5-amino-2-methoxyphenyl)-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984612
N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide
CID 62335489
N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide
CID 82224746
N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(5-amino-2-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61449940
N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295359
N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide (CID 43271750) is N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide is COc1cc(N)ccc1NC(=O)C(C)N(C)CC(C)C.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide?
The InChIKey is HEYUERJHTCBIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)9-18(4)11(3)15(19)17-13-7-6-12(16)8-14(13)20-5/h6-8,10-11H,9,16H2,1-5H3,(H,17,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide?
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide is sourced from PubChem (CID 43271750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).