cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid

C18H25Cl2NO3 — CID 66896834

IUPACcyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid
SMILESCOCCc1cc(Cl)c(Cl)c(C(N(C(=O)O)C2CC2)C(C)(C)C)c1
InChIInChI=1S/C18H25Cl2NO3/c1-18(2,3)16(21(17(22)23)12-5-6-12)13-9-11(7-8-24-4)10-14(19)15(13)20/h9-10,12,16H,5-8H2,1-4H3,(H,22,23)
InChIKeyUOFWFQPETNAYTI-UHFFFAOYSA-N
MW374.31 g/mol
LogP5.41
Rot. Bonds6

About cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid

cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 66896834) has the molecular formula C18H25Cl2NO3 and a molecular weight of 374.31 g/mol. Its IUPAC name is cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Namecyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid
PubChem CID66896834
Molecular FormulaC18H25Cl2NO3
Molecular Weight374.31 g/mol
Exact Mass373.12
IUPAC Namecyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid
SMILESCOCCc1cc(Cl)c(Cl)c(C(N(C(=O)O)C2CC2)C(C)(C)C)c1
InChIInChI=1S/C18H25Cl2NO3/c1-18(2,3)16(21(17(22)23)12-5-6-12)13-9-11(7-8-24-4)10-14(19)15(13)20/h9-10,12,16H,5-8H2,1-4H3,(H,22,23)
InChIKeyUOFWFQPETNAYTI-UHFFFAOYSA-N
XLogP5.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.31
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid (CID 66896834) is cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid is COCCc1cc(Cl)c(Cl)c(C(N(C(=O)O)C2CC2)C(C)(C)C)c1.
What is the InChIKey of cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid?
The InChIKey is UOFWFQPETNAYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2NO3/c1-18(2,3)16(21(17(22)23)12-5-6-12)13-9-11(7-8-24-4)10-14(19)15(13)20/h9-10,12,16H,5-8H2,1-4H3,(H,22,23).
What are the key properties of cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid?
cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 374.31 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 66896834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).