2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide

C15H23N3O — CID 63919444

IUPAC2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide
SMILESCCN(CC(N)(C(N)=O)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C15H23N3O/c1-3-18(13-8-4-11(2)5-9-13)10-15(17,14(16)19)12-6-7-12/h4-5,8-9,12H,3,6-7,10,17H2,1-2H3,(H2,16,19)
InChIKeyMJAOKJGZSQMCOU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.41
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide

2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide (PubChem CID 63919444) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide
PubChem CID63919444
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide
SMILESCCN(CC(N)(C(N)=O)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C15H23N3O/c1-3-18(13-8-4-11(2)5-9-13)10-15(17,14(16)19)12-6-7-12/h4-5,8-9,12H,3,6-7,10,17H2,1-2H3,(H2,16,19)
InChIKeyMJAOKJGZSQMCOU-UHFFFAOYSA-N
XLogP1.41
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide (CID 63919444) is 2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide is CCN(CC(N)(C(N)=O)C1CC1)c1ccc(C)cc1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide?
The InChIKey is MJAOKJGZSQMCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18(13-8-4-11(2)5-9-13)10-15(17,14(16)19)12-6-7-12/h4-5,8-9,12H,3,6-7,10,17H2,1-2H3,(H2,16,19).
What are the key properties of 2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide?
2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide is sourced from PubChem (CID 63919444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).