N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide

C24H34N4O4 — CID 43996628

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCC(c2ccc(N(C)C)cc2)N(C)C)cc1OC
InChIInChI=1S/C24H34N4O4/c1-27(2)19-10-8-18(9-11-19)20(28(3)4)16-26-24(30)23(29)25-14-13-17-7-12-21(31-5)22(15-17)32-6/h7-12,15,20H,13-14,16H2,1-6H3,(H,25,29)(H,26,30)
InChIKeyAEUBWQPPGIKGOO-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.85
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide (PubChem CID 43996628) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
PubChem CID43996628
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCC(c2ccc(N(C)C)cc2)N(C)C)cc1OC
InChIInChI=1S/C24H34N4O4/c1-27(2)19-10-8-18(9-11-19)20(28(3)4)16-26-24(30)23(29)25-14-13-17-7-12-21(31-5)22(15-17)32-6/h7-12,15,20H,13-14,16H2,1-6H3,(H,25,29)(H,26,30)
InChIKeyAEUBWQPPGIKGOO-UHFFFAOYSA-N
XLogP1.85
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639197
N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7639205
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)phenoxy]acetamide
CID 71745859
N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 18583527
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113176699
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2218053
1-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine
CID 111590004

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide (CID 43996628) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)NCC(c2ccc(N(C)C)cc2)N(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The InChIKey is AEUBWQPPGIKGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-27(2)19-10-8-18(9-11-19)20(28(3)4)16-26-24(30)23(29)25-14-13-17-7-12-21(31-5)22(15-17)32-6/h7-12,15,20H,13-14,16H2,1-6H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide has a molecular weight of 442.56 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide is sourced from PubChem (CID 43996628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).