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

C14H28N2O — CID 88757216

IUPAC(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide
SMILESC=C(C)CN[C@@H](CC(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-10(2)8-12(15-9-11(3)4)13(17)16-14(5,6)7/h10,12,15H,3,8-9H2,1-2,4-7H3,(H,16,17)/t12-/m0/s1
InChIKeyPEGQRMQTAAKBFT-LBPRGKRZSA-N
MW240.39 g/mol
LogP2.48
Rot. Bonds6

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

(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide (PubChem CID 88757216) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide
PubChem CID88757216
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide
SMILESC=C(C)CN[C@@H](CC(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-10(2)8-12(15-9-11(3)4)13(17)16-14(5,6)7/h10,12,15H,3,8-9H2,1-2,4-7H3,(H,16,17)/t12-/m0/s1
InChIKeyPEGQRMQTAAKBFT-LBPRGKRZSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-enylamino)pentanamide?
The IUPAC name of (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide (CID 88757216) is (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide.
What is the SMILES notation for (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide?
The canonical SMILES for (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide is C=C(C)CN[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-enylamino)pentanamide?
The InChIKey is PEGQRMQTAAKBFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)8-12(15-9-11(3)4)13(17)16-14(5,6)7/h10,12,15H,3,8-9H2,1-2,4-7H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide?
(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enylamino)pentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.48, 6 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-enylamino)pentanamide is sourced from PubChem (CID 88757216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).