2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide

C17H29N3O — CID 64711772

IUPAC2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide
SMILESCCNC(C)(CC(C)N(CC)c1cccc(C)c1)C(N)=O
InChIInChI=1S/C17H29N3O/c1-6-19-17(5,16(18)21)12-14(4)20(7-2)15-10-8-9-13(3)11-15/h8-11,14,19H,6-7,12H2,1-5H3,(H2,18,21)
InChIKeyHTCNZISJEBXXMW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.45
Rot. Bonds8

About 2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide

2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide (PubChem CID 64711772) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide.

Molecular Properties

Compound Name2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide
PubChem CID64711772
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide
SMILESCCNC(C)(CC(C)N(CC)c1cccc(C)c1)C(N)=O
InChIInChI=1S/C17H29N3O/c1-6-19-17(5,16(18)21)12-14(4)20(7-2)15-10-8-9-13(3)11-15/h8-11,14,19H,6-7,12H2,1-5H3,(H2,18,21)
InChIKeyHTCNZISJEBXXMW-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide?
The IUPAC name of 2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide (CID 64711772) is 2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide.
What is the SMILES notation for 2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide?
The canonical SMILES for 2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide is CCNC(C)(CC(C)N(CC)c1cccc(C)c1)C(N)=O.
What is the InChIKey of 2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide?
The InChIKey is HTCNZISJEBXXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-19-17(5,16(18)21)12-14(4)20(7-2)15-10-8-9-13(3)11-15/h8-11,14,19H,6-7,12H2,1-5H3,(H2,18,21).
What are the key properties of 2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide?
2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide has a molecular weight of 291.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide is sourced from PubChem (CID 64711772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).