(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide

C17H30N2O — CID 70558374

IUPAC(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide
SMILESC=C(C)CN[C@@H](CC(C)C)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C17H30N2O/c1-11(2)9-15(18-10-12(3)4)17(20)19-16(13-5-6-13)14-7-8-14/h11,13-16,18H,3,5-10H2,1-2,4H3,(H,19,20)/t15-/m0/s1
InChIKeyDLEPPVRULHMEGJ-HNNXBMFYSA-N
MW278.44 g/mol
LogP2.87
Rot. Bonds9

About (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide

(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide (PubChem CID 70558374) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide
PubChem CID70558374
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide
SMILESC=C(C)CN[C@@H](CC(C)C)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C17H30N2O/c1-11(2)9-15(18-10-12(3)4)17(20)19-16(13-5-6-13)14-7-8-14/h11,13-16,18H,3,5-10H2,1-2,4H3,(H,19,20)/t15-/m0/s1
InChIKeyDLEPPVRULHMEGJ-HNNXBMFYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2,4-dimethylpentan-3-yl)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 22884872
(2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 54413579
(2S)-2-amino-N-(dicyclopropylmethyl)-4-methylpentanamide
CID 61248556
(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 66684760
(2R)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 66778384
(2S)-N,N-dicyclopropyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 67436761
(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(prop-2-enoylamino)pentanamide
CID 68879188
(2S)-2-[(2,2-dicyclopropylacetyl)amino]propanamide
CID 70415484
4-Methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 76140004
(2S)-N-(2,4-dimethylpentyl)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 87550285
4-Methyl-2-(2-methylprop-2-enylamino)pentanamide
CID 88288286
(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide
CID 88757216

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide?
The IUPAC name of (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide (CID 70558374) is (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide.
What is the SMILES notation for (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide?
The canonical SMILES for (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide is C=C(C)CN[C@@H](CC(C)C)C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide?
The InChIKey is DLEPPVRULHMEGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-11(2)9-15(18-10-12(3)4)17(20)19-16(13-5-6-13)14-7-8-14/h11,13-16,18H,3,5-10H2,1-2,4H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide?
(2S)-N-(dicyclopropylmethyl)-4-methyl-2-(2-methylprop-2-enylamino)pentanamide has a molecular weight of 278.44 g/mol, XLogP of 2.87, 9 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-(2-methylprop-2-enylamino)pentanamide is sourced from PubChem (CID 70558374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).