[4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid

C14H22N2O2 — CID 160893440

IUPAC[4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid
SMILESCCc1cc(N(C)C(=O)O)cc(C)c1CN(C)C
InChIInChI=1S/C14H22N2O2/c1-6-11-8-12(16(5)14(17)18)7-10(2)13(11)9-15(3)4/h7-8H,6,9H2,1-5H3,(H,17,18)
InChIKeySOOLAUCLQMTREE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.73
Rot. Bonds4

About [4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid

[4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid (PubChem CID 160893440) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid
PubChem CID160893440
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid
SMILESCCc1cc(N(C)C(=O)O)cc(C)c1CN(C)C
InChIInChI=1S/C14H22N2O2/c1-6-11-8-12(16(5)14(17)18)7-10(2)13(11)9-15(3)4/h7-8H,6,9H2,1-5H3,(H,17,18)
InChIKeySOOLAUCLQMTREE-UHFFFAOYSA-N
XLogP2.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid?
The IUPAC name of [4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid (CID 160893440) is [4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid.
What is the SMILES notation for [4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid?
The canonical SMILES for [4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid is CCc1cc(N(C)C(=O)O)cc(C)c1CN(C)C.
What is the InChIKey of [4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid?
The InChIKey is SOOLAUCLQMTREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-11-8-12(16(5)14(17)18)7-10(2)13(11)9-15(3)4/h7-8H,6,9H2,1-5H3,(H,17,18).
What are the key properties of [4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid?
[4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid has a molecular weight of 250.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-3-ethyl-5-methylphenyl]-methylcarbamic acid is sourced from PubChem (CID 160893440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).