tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate

C20H23NO2 — CID 15514558

IUPACtert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
SMILESC=C(c1ccccc1)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H23NO2/c1-16(18-13-9-6-10-14-18)21(19(22)23-20(2,3)4)15-17-11-7-5-8-12-17/h5-14H,1,15H2,2-4H3
InChIKeyWSGZJPKCRQOIDC-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.09
Rot. Bonds4

About tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate

tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate (PubChem CID 15514558) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
PubChem CID15514558
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
SMILESC=C(c1ccccc1)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H23NO2/c1-16(18-13-9-6-10-14-18)21(19(22)23-20(2,3)4)15-17-11-7-5-8-12-17/h5-14H,1,15H2,2-4H3
InChIKeyWSGZJPKCRQOIDC-UHFFFAOYSA-N
XLogP5.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate
CID 91938097
tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate
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N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide
CID 101027288
tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
CID 170993459
tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
CID 101149303
tert-butyl N-[benzoyl(benzyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12030176
tert-butyl N-benzyl-N-[(E)-1-iodo-2-phenylethenyl]carbamate
CID 154711768
tert-butyl N-benzyl-N-(4-nitrobenzoyl)carbamate
CID 10450911
tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate
CID 139793857
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
tert-butyl N-benzyl-N-(methylamino)carbamate
CID 54080380

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate (CID 15514558) is tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate is C=C(c1ccccc1)N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate?
The InChIKey is WSGZJPKCRQOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16(18-13-9-6-10-14-18)21(19(22)23-20(2,3)4)15-17-11-7-5-8-12-17/h5-14H,1,15H2,2-4H3.
What are the key properties of tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate?
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate has a molecular weight of 309.41 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate is sourced from PubChem (CID 15514558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).