benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate

C22H26N2O2 — CID 155683348

IUPACbenzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate
SMILESCN(C)C1CC=C(c2ccc(NC(=O)OCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O2/c1-24(2)21-14-10-19(11-15-21)18-8-12-20(13-9-18)23-22(25)26-16-17-6-4-3-5-7-17/h3-10,12-13,21H,11,14-16H2,1-2H3,(H,23,25)
InChIKeyGTVPQGJKNVYJSD-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.93
Rot. Bonds5

About benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate

benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate (PubChem CID 155683348) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate
PubChem CID155683348
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namebenzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate
SMILESCN(C)C1CC=C(c2ccc(NC(=O)OCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O2/c1-24(2)21-14-10-19(11-15-21)18-8-12-20(13-9-18)23-22(25)26-16-17-6-4-3-5-7-17/h3-10,12-13,21H,11,14-16H2,1-2H3,(H,23,25)
InChIKeyGTVPQGJKNVYJSD-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate?
The IUPAC name of benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate (CID 155683348) is benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate?
The canonical SMILES for benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate is CN(C)C1CC=C(c2ccc(NC(=O)OCc3ccccc3)cc2)CC1.
What is the InChIKey of benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate?
The InChIKey is GTVPQGJKNVYJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-24(2)21-14-10-19(11-15-21)18-8-12-20(13-9-18)23-22(25)26-16-17-6-4-3-5-7-17/h3-10,12-13,21H,11,14-16H2,1-2H3,(H,23,25).
What are the key properties of benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate?
benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate is sourced from PubChem (CID 155683348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).