N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide

C22H28N4O2 — CID 92696933

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
SMILESCCN(CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O)c1cccc(C)c1
InChIInChI=1S/C22H28N4O2/c1-3-26(17-9-6-8-16(2)14-17)13-7-12-23-21(27)15-20-22(28)25-19-11-5-4-10-18(19)24-20/h4-6,8-11,14,20,24H,3,7,12-13,15H2,1-2H3,(H,23,27)(H,25,28)/t20-/m1/s1
InChIKeyPZVUMLGTDFMVPN-HXUWFJFHSA-N
MW380.49 g/mol
LogP3.15
Rot. Bonds8

About N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide

N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide (PubChem CID 92696933) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
PubChem CID92696933
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
SMILESCCN(CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O)c1cccc(C)c1
InChIInChI=1S/C22H28N4O2/c1-3-26(17-9-6-8-16(2)14-17)13-7-12-23-21(27)15-20-22(28)25-19-11-5-4-10-18(19)24-20/h4-6,8-11,14,20,24H,3,7,12-13,15H2,1-2H3,(H,23,27)(H,25,28)/t20-/m1/s1
InChIKeyPZVUMLGTDFMVPN-HXUWFJFHSA-N
XLogP3.15
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-(2,4-dimethylphenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 702403
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3660980
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548672
N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 5127937
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide
CID 1183778
2-(N-ethyl-3-methylanilino)ethyl N-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]carbamate
CID 6733987
3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 71363678

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide (CID 92696933) is N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide is CCN(CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide?
The InChIKey is PZVUMLGTDFMVPN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-26(17-9-6-8-16(2)14-17)13-7-12-23-21(27)15-20-22(28)25-19-11-5-4-10-18(19)24-20/h4-6,8-11,14,20,24H,3,7,12-13,15H2,1-2H3,(H,23,27)(H,25,28)/t20-/m1/s1.
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide is sourced from PubChem (CID 92696933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).