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

C16H25N3O — CID 63919628

IUPAC2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide
SMILESCCN(CC(NC)(C(N)=O)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O/c1-4-19(14-9-5-12(2)6-10-14)11-16(18-3,15(17)20)13-7-8-13/h5-6,9-10,13,18H,4,7-8,11H2,1-3H3,(H2,17,20)
InChIKeyIWFYSEUNYRUWPI-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.67
Rot. Bonds7

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

2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide (PubChem CID 63919628) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide
PubChem CID63919628
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide
SMILESCCN(CC(NC)(C(N)=O)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O/c1-4-19(14-9-5-12(2)6-10-14)11-16(18-3,15(17)20)13-7-8-13/h5-6,9-10,13,18H,4,7-8,11H2,1-3H3,(H2,17,20)
InChIKeyIWFYSEUNYRUWPI-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.67
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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Related Compounds

2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide
CID 63927629
2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide
CID 63919444
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-2-methylanilino)propanamide
CID 63906338
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid
CID 63907183
methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate
CID 63909571
2-cyclopropyl-2-(methylamino)-3-[methyl(propyl)amino]propanamide
CID 63906423
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid
CID 63927214
2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide
CID 63910696
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide
CID 107871018
N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 10262797
2-cyclopropyl-3-(N,4-dimethylanilino)-2-(propylamino)propanoic acid
CID 63927007
3-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(methylamino)propanamide
CID 114791773

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide (CID 63919628) is 2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide is CCN(CC(NC)(C(N)=O)C1CC1)c1ccc(C)cc1.
What is the InChIKey of 2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide?
The InChIKey is IWFYSEUNYRUWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19(14-9-5-12(2)6-10-14)11-16(18-3,15(17)20)13-7-8-13/h5-6,9-10,13,18H,4,7-8,11H2,1-3H3,(H2,17,20).
What are the key properties of 2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide?
2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide has a molecular weight of 275.40 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide is sourced from PubChem (CID 63919628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).