tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate

C27H30N2O3 — CID 58508662

IUPACtert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate
SMILESCc1cc(N(C)C)ccc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)OC(C)(C)C
InChIInChI=1S/C27H30N2O3/c1-18-16-21(29(5)6)13-15-22(18)25(30)28-24-17-20(19-10-8-7-9-11-19)12-14-23(24)26(31)32-27(2,3)4/h7-17H,1-6H3,(H,28,30)
InChIKeyHCSMTXPLINKTRD-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.94
Rot. Bonds5

About tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate

tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate (PubChem CID 58508662) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate
PubChem CID58508662
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Nametert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate
SMILESCc1cc(N(C)C)ccc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)OC(C)(C)C
InChIInChI=1S/C27H30N2O3/c1-18-16-21(29(5)6)13-15-22(18)25(30)28-24-17-20(19-10-8-7-9-11-19)12-14-23(24)26(31)32-27(2,3)4/h7-17H,1-6H3,(H,28,30)
InChIKeyHCSMTXPLINKTRD-UHFFFAOYSA-N
XLogP5.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508644
tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate
CID 58508608
tert-butyl 2-[(5-bromopyridine-2-carbonyl)amino]-4-phenylbenzoate
CID 58508787
tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508424
tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate
CID 58508599
tert-butyl 2-[[5-(bromomethoxy)-2-phenylmethoxybenzoyl]amino]-4-phenylbenzoate
CID 142764678
tert-butyl 2-[(4-chloropyridine-2-carbonyl)amino]-4-phenylbenzoate;tert-butyl 4-phenyl-2-[(4-phenylpyridine-2-carbonyl)amino]benzoate;4-phenyl-2-[(4-phenylpyridine-2-carbonyl)amino]benzoic acid
CID 160517661
tert-butyl 2-amino-4-phenylbenzoate;tert-butyl 2-[(2-hydroxy-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoate;tert-butyl 2-[(2-methyl-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoate;2-[(2-hydroxy-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 159182019
tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 58508706
tert-butyl 2-[(4-fluorobenzoyl)amino]-4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]benzoate
CID 67342396
tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-phenylbenzoate
CID 68959355
4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 66990541

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate?
The IUPAC name of tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate (CID 58508662) is tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate.
What is the SMILES notation for tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate?
The canonical SMILES for tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate is Cc1cc(N(C)C)ccc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate?
The InChIKey is HCSMTXPLINKTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-18-16-21(29(5)6)13-15-22(18)25(30)28-24-17-20(19-10-8-7-9-11-19)12-14-23(24)26(31)32-27(2,3)4/h7-17H,1-6H3,(H,28,30).
What are the key properties of tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate?
tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate has a molecular weight of 430.55 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate is sourced from PubChem (CID 58508662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).