N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide

C15H25N3O — CID 43272512

IUPACN-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide
SMILESCCC(C)N(C)C(C)C(=O)Nc1cccc(N)c1C
InChIInChI=1S/C15H25N3O/c1-6-10(2)18(5)12(4)15(19)17-14-9-7-8-13(16)11(14)3/h7-10,12H,6,16H2,1-5H3,(H,17,19)
InChIKeyUQTLEBCLOGBFGD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.63
Rot. Bonds5

About N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide

N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide (PubChem CID 43272512) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide
PubChem CID43272512
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide
SMILESCCC(C)N(C)C(C)C(=O)Nc1cccc(N)c1C
InChIInChI=1S/C15H25N3O/c1-6-10(2)18(5)12(4)15(19)17-14-9-7-8-13(16)11(14)3/h7-10,12H,6,16H2,1-5H3,(H,17,19)
InChIKeyUQTLEBCLOGBFGD-UHFFFAOYSA-N
XLogP2.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide
CID 16779035
N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
CID 106914626
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751663
1-(3-amino-2-methylphenyl)-3-ethylurea
CID 43164799
N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide
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N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
CID 82733294
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753806
(3-amino-2-methylphenyl)urea
CID 16770559
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705
N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985430

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide (CID 43272512) is N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide is CCC(C)N(C)C(C)C(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide?
The InChIKey is UQTLEBCLOGBFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-10(2)18(5)12(4)15(19)17-14-9-7-8-13(16)11(14)3/h7-10,12H,6,16H2,1-5H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide?
N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide is sourced from PubChem (CID 43272512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).