N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide

C18H20Cl2N4O4 — CID 55743155

IUPACN-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide
SMILESCOCCOc1ccc(NC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C18H20Cl2N4O4/c1-24(11-16(25)22-12-3-5-14(19)15(20)9-12)18(26)23-13-4-6-17(21-10-13)28-8-7-27-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHQVVYDQOMUAWQT-UHFFFAOYSA-N
MW427.29 g/mol
LogP3.52
Rot. Bonds8

About N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide

N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide (PubChem CID 55743155) has the molecular formula C18H20Cl2N4O4 and a molecular weight of 427.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide
PubChem CID55743155
Molecular FormulaC18H20Cl2N4O4
Molecular Weight427.29 g/mol
Exact Mass426.09
IUPAC NameN-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide
SMILESCOCCOc1ccc(NC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C18H20Cl2N4O4/c1-24(11-16(25)22-12-3-5-14(19)15(20)9-12)18(26)23-13-4-6-17(21-10-13)28-8-7-27-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHQVVYDQOMUAWQT-UHFFFAOYSA-N
XLogP3.52
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254
N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
CID 55432424
N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
CID 54924715
N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
CID 31680461
6-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]hexanamide
CID 43704143
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966
2-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569275
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47084300

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide (CID 55743155) is N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide is COCCOc1ccc(NC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide?
The InChIKey is HQVVYDQOMUAWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O4/c1-24(11-16(25)22-12-3-5-14(19)15(20)9-12)18(26)23-13-4-6-17(21-10-13)28-8-7-27-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide?
N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide has a molecular weight of 427.29 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide is sourced from PubChem (CID 55743155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).