hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate

C18H28N2O3 — CID 162388160

IUPAChexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
SMILESCCCCCCOC(=O)N[C@@H](C)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-3-4-5-9-14-23-18(22)20-15(2)17(21)19-13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyRYOXUFPHPVEKHM-HNNXBMFYSA-N
MW320.43 g/mol
LogP3.04
Rot. Bonds10

About hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate

hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate (PubChem CID 162388160) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namehexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
PubChem CID162388160
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namehexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
SMILESCCCCCCOC(=O)N[C@@H](C)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-3-4-5-9-14-23-18(22)20-15(2)17(21)19-13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyRYOXUFPHPVEKHM-HNNXBMFYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[1-oxo-1-(undecylamino)propan-2-yl]carbamate
CID 135363968
acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide
CID 162387217
pentadecyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 91699643
octyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 91699627
decyl N-(4-phenylbutyl)carbamate
CID 101211373
heptyl 2-oxo-2-(2-phenylethylamino)acetate
CID 6421927
hexyl N-[(3R)-2-carbamoyl-4,5-dioxo-5-(2-phenylethylamino)pent-1-en-3-yl]carbamate
CID 166884746
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
3-[2-(phenylmethoxycarbonylamino)propanoylamino]propyl acetate
CID 67664109
butyl N-(5-phenylpentyl)carbamate
CID 69404409
(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168

Frequently Asked Questions

What is the IUPAC name of hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
The IUPAC name of hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate (CID 162388160) is hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate.
What is the SMILES notation for hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
The canonical SMILES for hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate is CCCCCCOC(=O)N[C@@H](C)C(=O)NCCc1ccccc1.
What is the InChIKey of hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
The InChIKey is RYOXUFPHPVEKHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-4-5-9-14-23-18(22)20-15(2)17(21)19-13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 162388160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).