N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide

C17H26N2O4 — CID 110601119

IUPACN-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)NCCc1cc(OC)ccc1OC
InChIInChI=1S/C17H26N2O4/c1-4-5-6-16(20)19-12-17(21)18-10-9-13-11-14(22-2)7-8-15(13)23-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyRQIZMZDONLUXJN-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.67
Rot. Bonds10

About N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide

N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide (PubChem CID 110601119) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
PubChem CID110601119
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)NCCc1cc(OC)ccc1OC
InChIInChI=1S/C17H26N2O4/c1-4-5-6-16(20)19-12-17(21)18-10-9-13-11-14(22-2)7-8-15(13)23-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyRQIZMZDONLUXJN-UHFFFAOYSA-N
XLogP1.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710
4-tert-butyl-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 110601136
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
2-(2,5-dimethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78823018
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 110601130
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110407840
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide
CID 25178239
6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide
CID 25178444
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide?
The IUPAC name of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide (CID 110601119) is N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide.
What is the SMILES notation for N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide?
The canonical SMILES for N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide is CCCCC(=O)NCC(=O)NCCc1cc(OC)ccc1OC.
What is the InChIKey of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide?
The InChIKey is RQIZMZDONLUXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-5-6-16(20)19-12-17(21)18-10-9-13-11-14(22-2)7-8-15(13)23-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide?
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide has a molecular weight of 322.41 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide is sourced from PubChem (CID 110601119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).