2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide

C13H21N3O — CID 113404982

IUPAC2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1c(N)cccc1NCC(=O)NCC(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)7-16-13(17)8-15-12-6-4-5-11(14)10(12)3/h4-6,9,15H,7-8,14H2,1-3H3,(H,16,17)
InChIKeyYFPFSJKNIXDNTB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.76
Rot. Bonds5

About 2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide

2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 113404982) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide
PubChem CID113404982
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1c(N)cccc1NCC(=O)NCC(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)7-16-13(17)8-15-12-6-4-5-11(14)10(12)3/h4-6,9,15H,7-8,14H2,1-3H3,(H,16,17)
InChIKeyYFPFSJKNIXDNTB-UHFFFAOYSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methylanilino)-N-ethylacetamide
CID 63077987
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
2-(2-ethylanilino)-N-(2-methylpropyl)acetamide
CID 28583341
2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide
CID 71998712
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
2-(3-chloro-2-nitroanilino)-N-(2-methylpropyl)acetamide
CID 104836081
2-(2-aminoanilino)-N-ethylacetamide
CID 43566808
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide
CID 82757462
2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
CID 126987109
4-(3-amino-2-methylanilino)butan-2-ol
CID 64928447

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide (CID 113404982) is 2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide is Cc1c(N)cccc1NCC(=O)NCC(C)C.
What is the InChIKey of 2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is YFPFSJKNIXDNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)7-16-13(17)8-15-12-6-4-5-11(14)10(12)3/h4-6,9,15H,7-8,14H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide?
2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113404982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).