N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide

C15H23N3O — CID 43568692

IUPACN-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
SMILESCc1ccc(N)cc1NC(=O)CN(C)C(C)C1CC1
InChIInChI=1S/C15H23N3O/c1-10-4-7-13(16)8-14(10)17-15(19)9-18(3)11(2)12-5-6-12/h4,7-8,11-12H,5-6,9,16H2,1-3H3,(H,17,19)
InChIKeyMLOCONSMZIBVSQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.25
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide

N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide (PubChem CID 43568692) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
PubChem CID43568692
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
SMILESCc1ccc(N)cc1NC(=O)CN(C)C(C)C1CC1
InChIInChI=1S/C15H23N3O/c1-10-4-7-13(16)8-14(10)17-15(19)9-18(3)11(2)12-5-6-12/h4,7-8,11-12H,5-6,9,16H2,1-3H3,(H,17,19)
InChIKeyMLOCONSMZIBVSQ-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.25
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-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568654
N-(2-amino-4-methoxyphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568691
N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
CID 120569234
3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914827
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488
2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 47020960
N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
CID 63166537
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
CID 120569231

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide (CID 43568692) is N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide is Cc1ccc(N)cc1NC(=O)CN(C)C(C)C1CC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide?
The InChIKey is MLOCONSMZIBVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-4-7-13(16)8-14(10)17-15(19)9-18(3)11(2)12-5-6-12/h4,7-8,11-12H,5-6,9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide?
N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide is sourced from PubChem (CID 43568692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).