hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate

C18H34N2O3 — CID 54157141

IUPAChex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate
SMILESCCCC=CCOC(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
InChIInChI=1S/C18H34N2O3/c1-6-7-8-9-12-23-18(22)20-16(13-15(4)5)17(21)19-11-10-14(2)3/h8-9,14-16H,6-7,10-13H2,1-5H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyOLWJKZBMONTJEE-INIZCTEOSA-N
MW326.48 g/mol
LogP3.65
Rot. Bonds11

About hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate

hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate (PubChem CID 54157141) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namehex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate
PubChem CID54157141
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Namehex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate
SMILESCCCC=CCOC(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
InChIInChI=1S/C18H34N2O3/c1-6-7-8-9-12-23-18(22)20-16(13-15(4)5)17(21)19-11-10-14(2)3/h8-9,14-16H,6-7,10-13H2,1-5H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyOLWJKZBMONTJEE-INIZCTEOSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate?
The IUPAC name of hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate (CID 54157141) is hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate?
The canonical SMILES for hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate is CCCC=CCOC(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C.
What is the InChIKey of hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate?
The InChIKey is OLWJKZBMONTJEE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-6-7-8-9-12-23-18(22)20-16(13-15(4)5)17(21)19-11-10-14(2)3/h8-9,14-16H,6-7,10-13H2,1-5H3,(H,19,21)(H,20,22)/t16-/m0/s1.
What are the key properties of hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate?
hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.65, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-enyl N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 54157141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).