(2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide

C16H26N2O2 — CID 67436761

IUPAC(2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
SMILESC=C(C)C(=O)N[C@@H](CC(C)C)C(=O)N(C1CC1)C1CC1
InChIInChI=1S/C16H26N2O2/c1-10(2)9-14(17-15(19)11(3)4)16(20)18(12-5-6-12)13-7-8-13/h10,12-14H,3,5-9H2,1-2,4H3,(H,17,19)/t14-/m0/s1
InChIKeyXFYQOENYWZPYLH-AWEZNQCLSA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds7

About (2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide

(2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide (PubChem CID 67436761) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
PubChem CID67436761
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
SMILESC=C(C)C(=O)N[C@@H](CC(C)C)C(=O)N(C1CC1)C1CC1
InChIInChI=1S/C16H26N2O2/c1-10(2)9-14(17-15(19)11(3)4)16(20)18(12-5-6-12)13-7-8-13/h10,12-14H,3,5-9H2,1-2,4H3,(H,17,19)/t14-/m0/s1
InChIKeyXFYQOENYWZPYLH-AWEZNQCLSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.25
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 (2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
The IUPAC name of (2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide (CID 67436761) is (2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide.
What is the SMILES notation for (2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
The canonical SMILES for (2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide is C=C(C)C(=O)N[C@@H](CC(C)C)C(=O)N(C1CC1)C1CC1.
What is the InChIKey of (2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
The InChIKey is XFYQOENYWZPYLH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)9-14(17-15(19)11(3)4)16(20)18(12-5-6-12)13-7-8-13/h10,12-14H,3,5-9H2,1-2,4H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
(2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide is sourced from PubChem (CID 67436761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).