tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate

C19H20N2O4 — CID 134492042

IUPACtert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC(=O)c2ccc(C=O)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-19(2,3)25-18(24)21-16-6-4-5-15(11-16)20-17(23)14-9-7-13(12-22)8-10-14/h4-12H,1-3H3,(H,20,23)(H,21,24)
InChIKeyYHFYVNNLHUFDFF-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.10
Rot. Bonds4

About tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate

tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate (PubChem CID 134492042) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate
PubChem CID134492042
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nametert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC(=O)c2ccc(C=O)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-19(2,3)25-18(24)21-16-6-4-5-15(11-16)20-17(23)14-9-7-13(12-22)8-10-14/h4-12H,1-3H3,(H,20,23)(H,21,24)
InChIKeyYHFYVNNLHUFDFF-UHFFFAOYSA-N
XLogP4.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate;N,N-diethylethanamine;4-formylbenzoyl chloride
CID 158908586
tert-butyl N-[3-[2-(4-formylphenyl)ethynyl]phenyl]carbamate
CID 134491788
tert-butyl N-[4-[(3-iodophenyl)carbamoyl]phenyl]carbamate
CID 26245474
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
benzyl N-[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]phenyl]carbamate
CID 138515500
tert-butyl N-[3-[[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophene-2-carbonyl]amino]phenyl]carbamate
CID 166780032
tert-butyl N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9068676
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
N-(3-aminophenyl)-4-formylbenzamide
CID 57292924
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
tert-butyl N-[4-[[3-(phenacylideneamino)phenyl]carbamoyl]phenyl]carbamate
CID 90102050

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate (CID 134492042) is tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2ccc(C=O)cc2)c1.
What is the InChIKey of tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate?
The InChIKey is YHFYVNNLHUFDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-19(2,3)25-18(24)21-16-6-4-5-15(11-16)20-17(23)14-9-7-13(12-22)8-10-14/h4-12H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate?
tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate has a molecular weight of 340.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 134492042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).