(2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide

C14H26N2O2 — CID 21110189

IUPAC(2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide
SMILESC=C(C)C(=O)N[C@@H](C(=O)NC(CC)CC)C(C)C
InChIInChI=1S/C14H26N2O2/c1-7-11(8-2)15-14(18)12(9(3)4)16-13(17)10(5)6/h9,11-12H,5,7-8H2,1-4,6H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyGDSJDUSFBRAQME-GFCCVEGCSA-N
MW254.37 g/mol
LogP2.01
Rot. Bonds7

About (2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide

(2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide (PubChem CID 21110189) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide
PubChem CID21110189
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide
SMILESC=C(C)C(=O)N[C@@H](C(=O)NC(CC)CC)C(C)C
InChIInChI=1S/C14H26N2O2/c1-7-11(8-2)15-14(18)12(9(3)4)16-13(17)10(5)6/h9,11-12H,5,7-8H2,1-4,6H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyGDSJDUSFBRAQME-GFCCVEGCSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide?
The IUPAC name of (2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide (CID 21110189) is (2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide.
What is the SMILES notation for (2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide?
The canonical SMILES for (2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide is C=C(C)C(=O)N[C@@H](C(=O)NC(CC)CC)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide?
The InChIKey is GDSJDUSFBRAQME-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-7-11(8-2)15-14(18)12(9(3)4)16-13(17)10(5)6/h9,11-12H,5,7-8H2,1-4,6H3,(H,15,18)(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide?
(2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide has a molecular weight of 254.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylbutanamide is sourced from PubChem (CID 21110189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).