butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol

C15H25Cl2NO4 — CID 156723759

IUPACbutyl(propyl)carbamic acid;3,4-dichlorophenol;methanol
SMILESCCCCN(CCC)C(=O)O.CO.Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H17NO2.C6H4Cl2O.CH4O/c1-3-5-7-9(6-4-2)8(10)11;7-5-2-1-4(9)3-6(5)8;1-2/h3-7H2,1-2H3,(H,10,11);1-3,9H;2H,1H3
InChIKeyRMDDWVHHLYIYFI-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.48
Rot. Bonds5

About butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol

butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol (PubChem CID 156723759) has the molecular formula C15H25Cl2NO4 and a molecular weight of 354.27 g/mol. Its IUPAC name is butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol.

Molecular Properties

Compound Namebutyl(propyl)carbamic acid;3,4-dichlorophenol;methanol
PubChem CID156723759
Molecular FormulaC15H25Cl2NO4
Molecular Weight354.27 g/mol
Exact Mass353.12
IUPAC Namebutyl(propyl)carbamic acid;3,4-dichlorophenol;methanol
SMILESCCCCN(CCC)C(=O)O.CO.Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H17NO2.C6H4Cl2O.CH4O/c1-3-5-7-9(6-4-2)8(10)11;7-5-2-1-4(9)3-6(5)8;1-2/h3-7H2,1-2H3,(H,10,11);1-3,9H;2H,1H3
InChIKeyRMDDWVHHLYIYFI-UHFFFAOYSA-N
XLogP4.48
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
2-chloro-N-(cyanomethyl)-5-hydroxy-N-propylbenzamide
CID 106500989
(4-hydroxyphenyl)methyl-propylcarbamic acid
CID 69013096
benzoic acid;dibutylcarbamic acid
CID 160812669
1-butyl-3-(2,5-dichlorophenyl)-1-propylurea
CID 108886146
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642
1,1-dibutyl-3-(3,4-dichlorophenyl)thiourea
CID 19653145
2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide
CID 106503200
bis(3,4-dichlorophenol);zirconium
CID 161397670
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
CID 142120101
hexyl(octadecyl)carbamic acid
CID 87702094
2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 106501622

Frequently Asked Questions

What is the IUPAC name of butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol?
The IUPAC name of butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol (CID 156723759) is butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol.
What is the SMILES notation for butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol?
The canonical SMILES for butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol is CCCCN(CCC)C(=O)O.CO.Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol?
The InChIKey is RMDDWVHHLYIYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C6H4Cl2O.CH4O/c1-3-5-7-9(6-4-2)8(10)11;7-5-2-1-4(9)3-6(5)8;1-2/h3-7H2,1-2H3,(H,10,11);1-3,9H;2H,1H3.
What are the key properties of butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol?
butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol has a molecular weight of 354.27 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol is sourced from PubChem (CID 156723759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).