[2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid

C24H32N4O3 — CID 137365323

IUPAC[2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid
SMILESCC(C)(C)CN1CCC(Nc2ccc(C(=O)Nc3ccccc3NC(=O)O)cc2)CC1
InChIInChI=1S/C24H32N4O3/c1-24(2,3)16-28-14-12-19(13-15-28)25-18-10-8-17(9-11-18)22(29)26-20-6-4-5-7-21(20)27-23(30)31/h4-11,19,25,27H,12-16H2,1-3H3,(H,26,29)(H,30,31)
InChIKeyJGYXLUMDUGWIST-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.95
Rot. Bonds6

About [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid

[2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid (PubChem CID 137365323) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid
PubChem CID137365323
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name[2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid
SMILESCC(C)(C)CN1CCC(Nc2ccc(C(=O)Nc3ccccc3NC(=O)O)cc2)CC1
InChIInChI=1S/C24H32N4O3/c1-24(2,3)16-28-14-12-19(13-15-28)25-18-10-8-17(9-11-18)22(29)26-20-6-4-5-7-21(20)27-23(30)31/h4-11,19,25,27H,12-16H2,1-3H3,(H,26,29)(H,30,31)
InChIKeyJGYXLUMDUGWIST-UHFFFAOYSA-N
XLogP4.95
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid with MolForge

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Related Compounds

[2-[[4-[[1-(cyclohexylmethyl)azepan-4-yl]amino]benzoyl]amino]phenyl]carbamic acid
CID 137365308
N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane
CID 157178118
[2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid
CID 137365367
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
CID 110290716
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
N-(2-methylphenyl)-4-[[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]amino]benzamide
CID 158813011
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
tert-butyl 3-[4-[[2-(methylamino)phenyl]carbamoyl]anilino]azetidine-1-carboxylate
CID 148645296
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
N-(4-anilinopiperidin-1-yl)benzamide
CID 175169072
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589
N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 56504081

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid?
The IUPAC name of [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid (CID 137365323) is [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid.
What is the SMILES notation for [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid?
The canonical SMILES for [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid is CC(C)(C)CN1CCC(Nc2ccc(C(=O)Nc3ccccc3NC(=O)O)cc2)CC1.
What is the InChIKey of [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid?
The InChIKey is JGYXLUMDUGWIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-24(2,3)16-28-14-12-19(13-15-28)25-18-10-8-17(9-11-18)22(29)26-20-6-4-5-7-21(20)27-23(30)31/h4-11,19,25,27H,12-16H2,1-3H3,(H,26,29)(H,30,31).
What are the key properties of [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid?
[2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid has a molecular weight of 424.55 g/mol, XLogP of 4.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid is sourced from PubChem (CID 137365323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).