methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate

C14H22N2O2 — CID 10422233

IUPACmethyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate
SMILESCOC(=O)N(C(C)CCc1ccccc1)N(C)C
InChIInChI=1S/C14H22N2O2/c1-12(16(15(2)3)14(17)18-4)10-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeyYCLUBSFRASJFDQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.55
Rot. Bonds5

About methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate

methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate (PubChem CID 10422233) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate
PubChem CID10422233
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate
SMILESCOC(=O)N(C(C)CCc1ccccc1)N(C)C
InChIInChI=1S/C14H22N2O2/c1-12(16(15(2)3)14(17)18-4)10-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeyYCLUBSFRASJFDQ-UHFFFAOYSA-N
XLogP2.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate?
The IUPAC name of methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate (CID 10422233) is methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate.
What is the SMILES notation for methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate?
The canonical SMILES for methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate is COC(=O)N(C(C)CCc1ccccc1)N(C)C.
What is the InChIKey of methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate?
The InChIKey is YCLUBSFRASJFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(16(15(2)3)14(17)18-4)10-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3.
What are the key properties of methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate?
methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(dimethylamino)-N-(4-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 10422233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).