N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide

C23H28N4O3 — CID 71780355

IUPACN'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC(c1cn(C)c2ccccc12)N(C)C
InChIInChI=1S/C23H28N4O3/c1-26(2)20(18-15-27(3)19-11-7-6-10-17(18)19)14-25-23(29)22(28)24-13-16-9-5-8-12-21(16)30-4/h5-12,15,20H,13-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyOFZRTDTUKKZZLR-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.22
Rot. Bonds7

About N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide

N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 71780355) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
PubChem CID71780355
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC(c1cn(C)c2ccccc12)N(C)C
InChIInChI=1S/C23H28N4O3/c1-26(2)20(18-15-27(3)19-11-7-6-10-17(18)19)14-25-23(29)22(28)24-13-16-9-5-8-12-21(16)30-4/h5-12,15,20H,13-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyOFZRTDTUKKZZLR-UHFFFAOYSA-N
XLogP2.22
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021
1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea
CID 90490859
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 90490835
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 18583527
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
N'-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90490981
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 90490965
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90490734
1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 71780322
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71780353

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide (CID 71780355) is N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCC(c1cn(C)c2ccccc12)N(C)C.
What is the InChIKey of N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is OFZRTDTUKKZZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-26(2)20(18-15-27(3)19-11-7-6-10-17(18)19)14-25-23(29)22(28)24-13-16-9-5-8-12-21(16)30-4/h5-12,15,20H,13-14H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 408.50 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 71780355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).