(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide

C14H26N2O2 — CID 87068828

IUPAC(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
SMILESC=C(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)8-11(15-12(17)10(3)4)13(18)16-14(5,6)7/h9,11H,3,8H2,1-2,4-7H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyATWAYTSSFSRYGE-NSHDSACASA-N
MW254.37 g/mol
LogP2.01
Rot. Bonds5

About (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide

(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide (PubChem CID 87068828) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
PubChem CID87068828
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
SMILESC=C(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)8-11(15-12(17)10(3)4)13(18)16-14(5,6)7/h9,11H,3,8H2,1-2,4-7H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyATWAYTSSFSRYGE-NSHDSACASA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
The IUPAC name of (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide (CID 87068828) is (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide.
What is the SMILES notation for (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
The canonical SMILES for (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide is C=C(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
The InChIKey is ATWAYTSSFSRYGE-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9(2)8-11(15-12(17)10(3)4)13(18)16-14(5,6)7/h9,11H,3,8H2,1-2,4-7H3,(H,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide has a molecular weight of 254.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide is sourced from PubChem (CID 87068828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).