2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide

C17H26Cl2N2O5 — CID 66782833

IUPAC2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide
SMILESCOC(CN(CCC(O)CO)C(=O)C(C)Nc1ccc(Cl)c(Cl)c1)OC
InChIInChI=1S/C17H26Cl2N2O5/c1-11(20-12-4-5-14(18)15(19)8-12)17(24)21(7-6-13(23)10-22)9-16(25-2)26-3/h4-5,8,11,13,16,20,22-23H,6-7,9-10H2,1-3H3
InChIKeyXANBMEYVSOYHQE-UHFFFAOYSA-N
MW409.31 g/mol
LogP1.98
Rot. Bonds11

About 2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide

2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide (PubChem CID 66782833) has the molecular formula C17H26Cl2N2O5 and a molecular weight of 409.31 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide
PubChem CID66782833
Molecular FormulaC17H26Cl2N2O5
Molecular Weight409.31 g/mol
Exact Mass408.12
IUPAC Name2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide
SMILESCOC(CN(CCC(O)CO)C(=O)C(C)Nc1ccc(Cl)c(Cl)c1)OC
InChIInChI=1S/C17H26Cl2N2O5/c1-11(20-12-4-5-14(18)15(19)8-12)17(24)21(7-6-13(23)10-22)9-16(25-2)26-3/h4-5,8,11,13,16,20,22-23H,6-7,9-10H2,1-3H3
InChIKeyXANBMEYVSOYHQE-UHFFFAOYSA-N
XLogP1.98
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
(2S)-N-[3-[(8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-[3-chloro-4-(trifluoromethyl)anilino]-N-(2,2-dimethoxyethyl)propanamide
CID 66783446
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671
methyl 2-[2-(3,4-dichloroanilino)propanoylamino]propanoate
CID 18380258
N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide
CID 66782809
2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide
CID 18380247
(2R)-2-(3,4-dichloroanilino)propanehydrazide
CID 946902
tert-butyl N-benzyl-N-[3-(3,4-dichloroanilino)butyl]carbamate
CID 70963514
(4S)-4-[[(2R)-2-(3,4-dichloroanilino)propanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 70160149
(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
CID 7039116
3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
CID 20788075
1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide (CID 66782833) is 2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide is COC(CN(CCC(O)CO)C(=O)C(C)Nc1ccc(Cl)c(Cl)c1)OC.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide?
The InChIKey is XANBMEYVSOYHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2O5/c1-11(20-12-4-5-14(18)15(19)8-12)17(24)21(7-6-13(23)10-22)9-16(25-2)26-3/h4-5,8,11,13,16,20,22-23H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide?
2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide has a molecular weight of 409.31 g/mol, XLogP of 1.98, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide is sourced from PubChem (CID 66782833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).