tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate

C19H29NO2 — CID 134956819

IUPACtert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C/C=C/c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H29NO2/c1-18(2,3)16(20-17(21)22-19(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-13,16H,14H2,1-6H3,(H,20,21)/b13-10+/t16-/m1/s1
InChIKeyUJFUGNMNAUYIBP-QSOAKEGCSA-N
MW303.45 g/mol
LogP5.03
Rot. Bonds4

About tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate

tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate (PubChem CID 134956819) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate
PubChem CID134956819
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Nametert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C/C=C/c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H29NO2/c1-18(2,3)16(20-17(21)22-19(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-13,16H,14H2,1-6H3,(H,20,21)/b13-10+/t16-/m1/s1
InChIKeyUJFUGNMNAUYIBP-QSOAKEGCSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl Benzylcarbamate
CID 4615331
3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
tert-butyl N-(2-phenylethyl)carbamate
CID 3541750
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856
tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]amino]octyl]carbamate
CID 53326110
Tmc-49A
CID 10176847
tert-butyl N-[(5E)-5-benzylidene-4-oxocyclopent-2-en-1-yl]carbamate
CID 10401677
Carbamic acid, phenethyl-, isopropyl ester
CID 46078

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate (CID 134956819) is tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H](C/C=C/c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate?
The InChIKey is UJFUGNMNAUYIBP-QSOAKEGCSA-N. The full InChI is InChI=1S/C19H29NO2/c1-18(2,3)16(20-17(21)22-19(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-13,16H,14H2,1-6H3,(H,20,21)/b13-10+/t16-/m1/s1.
What are the key properties of tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate?
tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate has a molecular weight of 303.45 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate is sourced from PubChem (CID 134956819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).