N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide

C22H26N4O4 — CID 60606989

IUPACN-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide
SMILESCCN(CC)CCn1ccc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C22H26N4O4/c1-3-24(4-2)13-14-25-12-11-17-15-18(5-10-21(17)25)23-22(27)16-30-20-8-6-19(7-9-20)26(28)29/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,23,27)
InChIKeyTZRDYCQIYNTVKN-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.91
Rot. Bonds10

About N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide

N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide (PubChem CID 60606989) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide
PubChem CID60606989
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide
SMILESCCN(CC)CCn1ccc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C22H26N4O4/c1-3-24(4-2)13-14-25-12-11-17-15-18(5-10-21(17)25)23-22(27)16-30-20-8-6-19(7-9-20)26(28)29/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,23,27)
InChIKeyTZRDYCQIYNTVKN-UHFFFAOYSA-N
XLogP3.91
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 49498784
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1013330
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 7008738
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 31934343

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide (CID 60606989) is N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide is CCN(CC)CCn1ccc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is TZRDYCQIYNTVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-3-24(4-2)13-14-25-12-11-17-15-18(5-10-21(17)25)23-22(27)16-30-20-8-6-19(7-9-20)26(28)29/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,23,27).
What are the key properties of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide?
N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 410.47 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 60606989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).