tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate

C21H32N2O3 — CID 75511487

IUPACtert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(CNC(=O)CN(C(=O)OC(C)(C)C)C1CC1)Cc1ccccc1
InChIInChI=1S/C21H32N2O3/c1-20(2,3)26-19(25)23(17-11-12-17)14-18(24)22-15-21(4,5)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3,(H,22,24)
InChIKeyJVFOZABFJRCFLR-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.77
Rot. Bonds7

About tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate (PubChem CID 75511487) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate
PubChem CID75511487
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Nametert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(CNC(=O)CN(C(=O)OC(C)(C)C)C1CC1)Cc1ccccc1
InChIInChI=1S/C21H32N2O3/c1-20(2,3)26-19(25)23(17-11-12-17)14-18(24)22-15-21(4,5)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3,(H,22,24)
InChIKeyJVFOZABFJRCFLR-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate (CID 75511487) is tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate is CC(C)(CNC(=O)CN(C(=O)OC(C)(C)C)C1CC1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate?
The InChIKey is JVFOZABFJRCFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-20(2,3)26-19(25)23(17-11-12-17)14-18(24)22-15-21(4,5)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3,(H,22,24).
What are the key properties of tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate has a molecular weight of 360.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 75511487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).