2-amino-3-(4-methoxy-3-methylanilino)propanamide

C11H17N3O2 — CID 103243682

IUPAC2-amino-3-(4-methoxy-3-methylanilino)propanamide
SMILESCOc1ccc(NCC(N)C(N)=O)cc1C
InChIInChI=1S/C11H17N3O2/c1-7-5-8(3-4-10(7)16-2)14-6-9(12)11(13)15/h3-5,9,14H,6,12H2,1-2H3,(H2,13,15)
InChIKeyNNGJLKMTZYSTON-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.23
Rot. Bonds5

About 2-amino-3-(4-methoxy-3-methylanilino)propanamide

2-amino-3-(4-methoxy-3-methylanilino)propanamide (PubChem CID 103243682) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-3-(4-methoxy-3-methylanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-methoxy-3-methylanilino)propanamide
PubChem CID103243682
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-amino-3-(4-methoxy-3-methylanilino)propanamide
SMILESCOc1ccc(NCC(N)C(N)=O)cc1C
InChIInChI=1S/C11H17N3O2/c1-7-5-8(3-4-10(7)16-2)14-6-9(12)11(13)15/h3-5,9,14H,6,12H2,1-2H3,(H2,13,15)
InChIKeyNNGJLKMTZYSTON-UHFFFAOYSA-N
XLogP0.23
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-bromo-3-methylanilino)propanamide
CID 103232914
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
3,3,3-trifluoro-N'-hydroxy-2-[(4-methoxy-3-methylanilino)methyl]propanimidamide
CID 103369786
N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide
CID 77030951
3-(4-bromo-3-methoxyanilino)-2-methylpropanamide
CID 82867694
methyl 2-acetamido-3-(3,4-dimethoxyanilino)propanoate
CID 103232986
2-amino-3-[3-bromo-4-(trifluoromethoxy)anilino]propanamide
CID 107336597
2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide
CID 123418286
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate
CID 103234166
2-amino-3-(4-iodoanilino)propanamide
CID 103236780

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxy-3-methylanilino)propanamide?
The IUPAC name of 2-amino-3-(4-methoxy-3-methylanilino)propanamide (CID 103243682) is 2-amino-3-(4-methoxy-3-methylanilino)propanamide.
What is the SMILES notation for 2-amino-3-(4-methoxy-3-methylanilino)propanamide?
The canonical SMILES for 2-amino-3-(4-methoxy-3-methylanilino)propanamide is COc1ccc(NCC(N)C(N)=O)cc1C.
What is the InChIKey of 2-amino-3-(4-methoxy-3-methylanilino)propanamide?
The InChIKey is NNGJLKMTZYSTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-5-8(3-4-10(7)16-2)14-6-9(12)11(13)15/h3-5,9,14H,6,12H2,1-2H3,(H2,13,15).
What are the key properties of 2-amino-3-(4-methoxy-3-methylanilino)propanamide?
2-amino-3-(4-methoxy-3-methylanilino)propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxy-3-methylanilino)propanamide is sourced from PubChem (CID 103243682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).