N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide

C15H25N3O — CID 43295395

IUPACN-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-5-11(2)10-18(4)12(3)15(19)17-14-9-7-6-8-13(14)16/h6-9,11-12H,5,10,16H2,1-4H3,(H,17,19)
InChIKeyZIHAJWSQWPJXCQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.57
Rot. Bonds6

About N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide

N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide (PubChem CID 43295395) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
PubChem CID43295395
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-5-11(2)10-18(4)12(3)15(19)17-14-9-7-6-8-13(14)16/h6-9,11-12H,5,10,16H2,1-4H3,(H,17,19)
InChIKeyZIHAJWSQWPJXCQ-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.57
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-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295369
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527265
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295357
N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
CID 107748924
N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751658
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide
CID 103101404
N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61426661
N-(4-carbamothioylphenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295842
N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
CID 79481495
N-(2-aminophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568725

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide (CID 43295395) is N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide is CCC(C)CN(C)C(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
The InChIKey is ZIHAJWSQWPJXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-11(2)10-18(4)12(3)15(19)17-14-9-7-6-8-13(14)16/h6-9,11-12H,5,10,16H2,1-4H3,(H,17,19).
What are the key properties of N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide?
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide is sourced from PubChem (CID 43295395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).