N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide

C24H41N5O5 — CID 59202466

IUPACN-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide
SMILESCCN(CC)CCNC(=O)CN(C)C1CC(=O)N(CCCCCCN2C(=O)C[C@@H](C)C2=O)C1=O
InChIInChI=1S/C24H41N5O5/c1-5-27(6-2)14-11-25-20(30)17-26(4)19-16-22(32)29(24(19)34)13-10-8-7-9-12-28-21(31)15-18(3)23(28)33/h18-19H,5-17H2,1-4H3,(H,25,30)/t18-,19?/m1/s1
InChIKeyROTFSCZRVODJQC-MRTLOADZSA-N
MW479.62 g/mol
LogP0.46
Rot. Bonds15

About N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide

N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide (PubChem CID 59202466) has the molecular formula C24H41N5O5 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide
PubChem CID59202466
Molecular FormulaC24H41N5O5
Molecular Weight479.62 g/mol
Exact Mass479.31
IUPAC NameN-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide
SMILESCCN(CC)CCNC(=O)CN(C)C1CC(=O)N(CCCCCCN2C(=O)C[C@@H](C)C2=O)C1=O
InChIInChI=1S/C24H41N5O5/c1-5-27(6-2)14-11-25-20(30)17-26(4)19-16-22(32)29(24(19)34)13-10-8-7-9-12-28-21(31)15-18(3)23(28)33/h18-19H,5-17H2,1-4H3,(H,25,30)/t18-,19?/m1/s1
InChIKeyROTFSCZRVODJQC-MRTLOADZSA-N
XLogP0.46
TPSA110.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide (CID 59202466) is N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide is CCN(CC)CCNC(=O)CN(C)C1CC(=O)N(CCCCCCN2C(=O)C[C@@H](C)C2=O)C1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide?
The InChIKey is ROTFSCZRVODJQC-MRTLOADZSA-N. The full InChI is InChI=1S/C24H41N5O5/c1-5-27(6-2)14-11-25-20(30)17-26(4)19-16-22(32)29(24(19)34)13-10-8-7-9-12-28-21(31)15-18(3)23(28)33/h18-19H,5-17H2,1-4H3,(H,25,30)/t18-,19?/m1/s1.
What are the key properties of N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide?
N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide has a molecular weight of 479.62 g/mol, XLogP of 0.46, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide is sourced from PubChem (CID 59202466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).