N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide

C24H41N3O7 — CID 123500390

IUPACN-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCC1=CC=C(CC)CC1
InChIInChI=1S/C24H41N3O7/c1-3-20-5-7-21(8-6-20)17-27-24(30)19-34-16-14-32-12-10-26-23(29)18-33-15-13-31-11-9-25-22(28)4-2/h5,7H,3-4,6,8-19H2,1-2H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeySUGJVBUQBKOQHZ-UHFFFAOYSA-N
MW483.61 g/mol
LogP0.87
Rot. Bonds20

About N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide

N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide (PubChem CID 123500390) has the molecular formula C24H41N3O7 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
PubChem CID123500390
Molecular FormulaC24H41N3O7
Molecular Weight483.61 g/mol
Exact Mass483.29
IUPAC NameN-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCC1=CC=C(CC)CC1
InChIInChI=1S/C24H41N3O7/c1-3-20-5-7-21(8-6-20)17-27-24(30)19-34-16-14-32-12-10-26-23(29)18-33-15-13-31-11-9-25-22(28)4-2/h5,7H,3-4,6,8-19H2,1-2H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeySUGJVBUQBKOQHZ-UHFFFAOYSA-N
XLogP0.87
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide (CID 123500390) is N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide is CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCC1=CC=C(CC)CC1.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide?
The InChIKey is SUGJVBUQBKOQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O7/c1-3-20-5-7-21(8-6-20)17-27-24(30)19-34-16-14-32-12-10-26-23(29)18-33-15-13-31-11-9-25-22(28)4-2/h5,7H,3-4,6,8-19H2,1-2H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide?
N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide has a molecular weight of 483.61 g/mol, XLogP of 0.87, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 123500390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).