(2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide

C17H28N2O2 — CID 118695407

IUPAC(2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide
SMILESC=C(C)C(=O)N(C(C1CC1)C1CC1)[C@H](CC(C)C)C(N)=O
InChIInChI=1S/C17H28N2O2/c1-10(2)9-14(16(18)20)19(17(21)11(3)4)15(12-5-6-12)13-7-8-13/h10,12-15H,3,5-9H2,1-2,4H3,(H2,18,20)/t14-/m1/s1
InChIKeyHXYIWGBYMYGWLD-CQSZACIVSA-N
MW292.42 g/mol
LogP2.48
Rot. Bonds8

About (2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide

(2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide (PubChem CID 118695407) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide
PubChem CID118695407
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide
SMILESC=C(C)C(=O)N(C(C1CC1)C1CC1)[C@H](CC(C)C)C(N)=O
InChIInChI=1S/C17H28N2O2/c1-10(2)9-14(16(18)20)19(17(21)11(3)4)15(12-5-6-12)13-7-8-13/h10,12-15H,3,5-9H2,1-2,4H3,(H2,18,20)/t14-/m1/s1
InChIKeyHXYIWGBYMYGWLD-CQSZACIVSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
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)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide (CID 118695407) is (2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide is C=C(C)C(=O)N(C(C1CC1)C1CC1)[C@H](CC(C)C)C(N)=O.
What is the InChIKey of (2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide?
The InChIKey is HXYIWGBYMYGWLD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-10(2)9-14(16(18)20)19(17(21)11(3)4)15(12-5-6-12)13-7-8-13/h10,12-15H,3,5-9H2,1-2,4H3,(H2,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide?
(2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[dicyclopropylmethyl(2-methylprop-2-enoyl)amino]-4-methylpentanamide is sourced from PubChem (CID 118695407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).