2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide

C15H25N3O — CID 61296584

IUPAC2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(C)c1cccc(N)c1
InChIInChI=1S/C15H25N3O/c1-6-15(3,4)17-14(19)11(2)18(5)13-9-7-8-12(16)10-13/h7-11H,6,16H2,1-5H3,(H,17,19)
InChIKeyMBUQMWUKPYWPKC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.40
Rot. Bonds5

About 2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide

2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 61296584) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide
PubChem CID61296584
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(C)c1cccc(N)c1
InChIInChI=1S/C15H25N3O/c1-6-15(3,4)17-14(19)11(2)18(5)13-9-7-8-12(16)10-13/h7-11H,6,16H2,1-5H3,(H,17,19)
InChIKeyMBUQMWUKPYWPKC-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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

2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
CID 61295832
2-(3-amino-N-methylanilino)-N-phenylpropanamide
CID 61297699
3-N-butan-2-yl-3-N-methylbenzene-1,3-diamine
CID 43272599
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 47145321
2-[2-aminoethyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61349502
3-[methyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]propanoic acid;hydrochloride
CID 119911897
2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 104556787
2-[(3-aminophenyl)methyl-propan-2-ylamino]-N-tert-butylpropanamide
CID 43460327
(2R)-N-(2-methylbutan-2-yl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 97087184
2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide
CID 62970139
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 61486374
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] 5-amino-2-chlorobenzoate
CID 61321456

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide (CID 61296584) is 2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is MBUQMWUKPYWPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-15(3,4)17-14(19)11(2)18(5)13-9-7-8-12(16)10-13/h7-11H,6,16H2,1-5H3,(H,17,19).
What are the key properties of 2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 61296584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).