tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate

C20H26N2O2 — CID 91489697

IUPACtert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate
SMILESCCCc1cc(NC(=O)OC(C)(C)C)c(N)cc1-c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-5-9-15-12-18(22-19(23)24-20(2,3)4)17(21)13-16(15)14-10-7-6-8-11-14/h6-8,10-13H,5,9,21H2,1-4H3,(H,22,23)
InChIKeyDPSMPIYFFPDBMJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.24
Rot. Bonds4

About tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate

tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate (PubChem CID 91489697) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate
PubChem CID91489697
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nametert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate
SMILESCCCc1cc(NC(=O)OC(C)(C)C)c(N)cc1-c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-5-9-15-12-18(22-19(23)24-20(2,3)4)17(21)13-16(15)14-10-7-6-8-11-14/h6-8,10-13H,5,9,21H2,1-4H3,(H,22,23)
InChIKeyDPSMPIYFFPDBMJ-UHFFFAOYSA-N
XLogP5.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
tert-butyl N-[5,6-bis(hydroxymethyl)-2-phenyl-3-pyridinyl]carbamate
CID 118411498
tert-butyl N-[5-amino-2-(6-phenyl-1,2,4,5-tetrazin-3-yl)phenyl]carbamate
CID 159916711
tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
CID 23021010
tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate
CID 68786363
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate
CID 67289423
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430
tert-butyl 2-[4-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-phenylethynyl)phenoxy]acetate
CID 70002215
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate
CID 175552505
tert-butyl N-[2-amino-5-(2-phenylethynylsulfanyl)phenyl]carbamate
CID 141034856

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate (CID 91489697) is tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate is CCCc1cc(NC(=O)OC(C)(C)C)c(N)cc1-c1ccccc1.
What is the InChIKey of tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate?
The InChIKey is DPSMPIYFFPDBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-9-15-12-18(22-19(23)24-20(2,3)4)17(21)13-16(15)14-10-7-6-8-11-14/h6-8,10-13H,5,9,21H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate?
tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate has a molecular weight of 326.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate is sourced from PubChem (CID 91489697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).