tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate

C24H30N2O3 — CID 101196840

IUPACtert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H30N2O3/c1-5-16-25(23(28)29-24(2,3)4)19-22(27)26(17-20-12-8-6-9-13-20)18-21-14-10-7-11-15-21/h5-15H,1,16-19H2,2-4H3
InChIKeyKOONZYHYQPNHID-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.64
Rot. Bonds8

About tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate

tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate (PubChem CID 101196840) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
PubChem CID101196840
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Nametert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H30N2O3/c1-5-16-25(23(28)29-24(2,3)4)19-22(27)26(17-20-12-8-6-9-13-20)18-21-14-10-7-11-15-21/h5-15H,1,16-19H2,2-4H3
InChIKeyKOONZYHYQPNHID-UHFFFAOYSA-N
XLogP4.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-benzyl-N-(2-oxohex-5-enyl)carbamate
CID 165471210
tert-butyl N-benzyl-N-pent-4-enylcarbamate
CID 15840242
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 134867312
tert-butyl N-benzyl-N-(3,3-dimethyl-4-oxobutyl)carbamate
CID 146629993
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
tert-butyl N-[(Z)-2-(benzenesulfonyl)but-2-enyl]-N-benzylcarbamate
CID 10621089
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoic acid
CID 154080815
tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 132608817
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 5155914
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-benzyl-N-(6-methyl-2-oxohept-5-enyl)carbamate
CID 165468171

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate (CID 101196840) is tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate is C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate?
The InChIKey is KOONZYHYQPNHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-5-16-25(23(28)29-24(2,3)4)19-22(27)26(17-20-12-8-6-9-13-20)18-21-14-10-7-11-15-21/h5-15H,1,16-19H2,2-4H3.
What are the key properties of tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate?
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate has a molecular weight of 394.52 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 101196840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).