(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide

C16H26N2O2 — CID 68879188

IUPAC(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide
SMILESC=CC(=O)N[C@@H](CC(C)C)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H26N2O2/c1-4-14(19)17-13(9-10(2)3)16(20)18-15(11-5-6-11)12-7-8-12/h4,10-13,15H,1,5-9H2,2-3H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyGJVALHFYZKNDIM-ZDUSSCGKSA-N
MW278.40 g/mol
LogP2.01
Rot. Bonds8

About (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide

(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide (PubChem CID 68879188) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide
PubChem CID68879188
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide
SMILESC=CC(=O)N[C@@H](CC(C)C)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H26N2O2/c1-4-14(19)17-13(9-10(2)3)16(20)18-15(11-5-6-11)12-7-8-12/h4,10-13,15H,1,5-9H2,2-3H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyGJVALHFYZKNDIM-ZDUSSCGKSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
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-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide?
The IUPAC name of (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide (CID 68879188) is (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide.
What is the SMILES notation for (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide?
The canonical SMILES for (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide is C=CC(=O)N[C@@H](CC(C)C)C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide?
The InChIKey is GJVALHFYZKNDIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-14(19)17-13(9-10(2)3)16(20)18-15(11-5-6-11)12-7-8-12/h4,10-13,15H,1,5-9H2,2-3H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide?
(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide is sourced from PubChem (CID 68879188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).