[2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate

C26H33N3O4 — CID 175334039

IUPAC[2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate
SMILESCC(C)(O)CN1CCC(=Cc2ccc(C(=O)Nc3ccccc3OC(N)=O)cc2)CC1(C)C
InChIInChI=1S/C26H33N3O4/c1-25(2)16-19(13-14-29(25)17-26(3,4)32)15-18-9-11-20(12-10-18)23(30)28-21-7-5-6-8-22(21)33-24(27)31/h5-12,15,32H,13-14,16-17H2,1-4H3,(H2,27,31)(H,28,30)
InChIKeyGRDMSCSHKINDHC-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.43
Rot. Bonds6

About [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate

[2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate (PubChem CID 175334039) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate.

Molecular Properties

Compound Name[2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate
PubChem CID175334039
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name[2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate
SMILESCC(C)(O)CN1CCC(=Cc2ccc(C(=O)Nc3ccccc3OC(N)=O)cc2)CC1(C)C
InChIInChI=1S/C26H33N3O4/c1-25(2)16-19(13-14-29(25)17-26(3,4)32)15-18-9-11-20(12-10-18)23(30)28-21-7-5-6-8-22(21)33-24(27)31/h5-12,15,32H,13-14,16-17H2,1-4H3,(H2,27,31)(H,28,30)
InChIKeyGRDMSCSHKINDHC-UHFFFAOYSA-N
XLogP4.43
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate with MolForge

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Related Compounds

N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide
CID 142389610
4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide
CID 135254132
[2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid
CID 137365367
N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide
CID 138662403
methyl 4-[[1-(2-hydroxy-2-methylpropyl)azepan-4-ylidene]methyl]benzoate
CID 153406034
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761802
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20991308

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate?
The IUPAC name of [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate (CID 175334039) is [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate.
What is the SMILES notation for [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate?
The canonical SMILES for [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate is CC(C)(O)CN1CCC(=Cc2ccc(C(=O)Nc3ccccc3OC(N)=O)cc2)CC1(C)C.
What is the InChIKey of [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate?
The InChIKey is GRDMSCSHKINDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-25(2)16-19(13-14-29(25)17-26(3,4)32)15-18-9-11-20(12-10-18)23(30)28-21-7-5-6-8-22(21)33-24(27)31/h5-12,15,32H,13-14,16-17H2,1-4H3,(H2,27,31)(H,28,30).
What are the key properties of [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate?
[2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate has a molecular weight of 451.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate is sourced from PubChem (CID 175334039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).