tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate

C27H29N3O4 — CID 108917509

IUPACtert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H29N3O4/c1-27(2,3)34-26(33)29-18-24(31)28-17-19-9-15-23(16-10-19)30-25(32)22-13-11-21(12-14-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyGLOIUHPPIXVODW-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.75
Rot. Bonds7

About tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate (PubChem CID 108917509) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate
PubChem CID108917509
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Nametert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H29N3O4/c1-27(2,3)34-26(33)29-18-24(31)28-17-19-9-15-23(16-10-19)30-25(32)22-13-11-21(12-14-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyGLOIUHPPIXVODW-UHFFFAOYSA-N
XLogP4.75
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917493
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoate
CID 26688501
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
tert-butyl N-[[4-[(4-iodophenyl)carbamoyl]phenyl]methyl]carbamate
CID 46525552
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
tert-butyl N-[2-[[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917559
tert-butyl N-[2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]carbamate
CID 142045307
tert-butyl N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917737
tert-butyl N-[2-[[2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]quinazolin-4-yl]amino]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 157309221
tert-butyl N-[2-[4-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917580
tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916896

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate (CID 108917509) is tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate?
The InChIKey is GLOIUHPPIXVODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-27(2,3)34-26(33)29-18-24(31)28-17-19-9-15-23(16-10-19)30-25(32)22-13-11-21(12-14-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,28,31)(H,29,33)(H,30,32).
What are the key properties of tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate has a molecular weight of 459.55 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate is sourced from PubChem (CID 108917509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).