N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C26H32Cl2N4O3 — CID 3416755

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCOCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C(=O)N(C)C
InChIInChI=1S/C26H32Cl2N4O3/c1-30(2)26(34)32(12-6-14-35-3)18-25(33)31(17-19-9-10-22(27)23(28)15-19)13-11-20-16-29-24-8-5-4-7-21(20)24/h4-5,7-10,15-16,29H,6,11-14,17-18H2,1-3H3
InChIKeyPCEQSRMCBDVEKE-UHFFFAOYSA-N
MW519.47 g/mol
LogP5.07
Rot. Bonds11

About N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 3416755) has the molecular formula C26H32Cl2N4O3 and a molecular weight of 519.47 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID3416755
Molecular FormulaC26H32Cl2N4O3
Molecular Weight519.47 g/mol
Exact Mass518.19
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCOCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C(=O)N(C)C
InChIInChI=1S/C26H32Cl2N4O3/c1-30(2)26(34)32(12-6-14-35-3)18-25(33)31(17-19-9-10-22(27)23(28)15-19)13-11-20-16-29-24-8-5-4-7-21(20)24/h4-5,7-10,15-16,29H,6,11-14,17-18H2,1-3H3
InChIKeyPCEQSRMCBDVEKE-UHFFFAOYSA-N
XLogP5.07
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methoxy-N-(3-methoxypropyl)benzamide
CID 3567855
3-bromo-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 3612524
N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide
CID 3642074
2-[(2,3-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772417
N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 3637218
methyl 2-[butyl-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]amino]propanoate
CID 46128598
N-cyclopropyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42771067
N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[3-methoxypropyl(phenylcarbamoyl)amino]acetamide
CID 4122876
2,4-dichloro-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 42772617
N-butyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 5157043
N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 5171874
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3484242

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 3416755) is N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C(=O)N(C)C.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is PCEQSRMCBDVEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl2N4O3/c1-30(2)26(34)32(12-6-14-35-3)18-25(33)31(17-19-9-10-22(27)23(28)15-19)13-11-20-16-29-24-8-5-4-7-21(20)24/h4-5,7-10,15-16,29H,6,11-14,17-18H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 519.47 g/mol, XLogP of 5.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 3416755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).