2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane

C20H36N2O4 — CID 165007048

IUPAC2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane
SMILESC.C.NC(Cc1ccccc1)C(=O)NCC(=O)CCCCOCCCO
InChIInChI=1S/C18H28N2O4.2CH4/c19-17(13-15-7-2-1-3-8-15)18(23)20-14-16(22)9-4-5-11-24-12-6-10-21;;/h1-3,7-8,17,21H,4-6,9-14,19H2,(H,20,23);2*1H4
InChIKeyJCRYUYZZZVZXTB-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.08
Rot. Bonds13

About 2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane

2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane (PubChem CID 165007048) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane.

Molecular Properties

Compound Name2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane
PubChem CID165007048
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane
SMILESC.C.NC(Cc1ccccc1)C(=O)NCC(=O)CCCCOCCCO
InChIInChI=1S/C18H28N2O4.2CH4/c19-17(13-15-7-2-1-3-8-15)18(23)20-14-16(22)9-4-5-11-24-12-6-10-21;;/h1-3,7-8,17,21H,4-6,9-14,19H2,(H,20,23);2*1H4
InChIKeyJCRYUYZZZVZXTB-UHFFFAOYSA-N
XLogP2.08
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane
CID 157084675
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
2-amino-N-(3-chloro-2-oxopropyl)-3-phenylpropanamide
CID 134891697
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
4-hydroxybutyl (2S)-2-amino-3-phenylpropanoate
CID 3035673
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane?
The IUPAC name of 2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane (CID 165007048) is 2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane.
What is the SMILES notation for 2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane?
The canonical SMILES for 2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane is C.C.NC(Cc1ccccc1)C(=O)NCC(=O)CCCCOCCCO.
What is the InChIKey of 2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane?
The InChIKey is JCRYUYZZZVZXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4.2CH4/c19-17(13-15-7-2-1-3-8-15)18(23)20-14-16(22)9-4-5-11-24-12-6-10-21;;/h1-3,7-8,17,21H,4-6,9-14,19H2,(H,20,23);2*1H4.
What are the key properties of 2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane?
2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane has a molecular weight of 368.52 g/mol, XLogP of 2.08, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane is sourced from PubChem (CID 165007048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).