(4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate

C19H24N2O2 — CID 143227098

IUPAC(4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate
SMILESCC(NC(=O)Oc1ccc(C(C)(C)C)cc1)c1ccc(N)cc1
InChIInChI=1S/C19H24N2O2/c1-13(14-5-9-16(20)10-6-14)21-18(22)23-17-11-7-15(8-12-17)19(2,3)4/h5-13H,20H2,1-4H3,(H,21,22)
InChIKeyPTUGVPREIYFRNO-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.42
Rot. Bonds3

About (4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate

(4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate (PubChem CID 143227098) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate.

Molecular Properties

Compound Name(4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate
PubChem CID143227098
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate
SMILESCC(NC(=O)Oc1ccc(C(C)(C)C)cc1)c1ccc(N)cc1
InChIInChI=1S/C19H24N2O2/c1-13(14-5-9-16(20)10-6-14)21-18(22)23-17-11-7-15(8-12-17)19(2,3)4/h5-13H,20H2,1-4H3,(H,21,22)
InChIKeyPTUGVPREIYFRNO-UHFFFAOYSA-N
XLogP4.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.42
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

N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
2-bromo-N-[1-(4-tert-butylphenyl)ethyl]propanamide
CID 107903587
2-(5-amino-2-pyridinyl)-N-[1-(4-tert-butylphenyl)ethyl]acetamide
CID 120621513
1-(4-aminophenyl)ethylurea
CID 43298080
(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide
CID 61155319
(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928603
N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
CID 43297537
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
phenyl N-[(1S)-1-pyridin-4-ylethyl]carbamate
CID 81409571
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate
CID 60629562

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate?
The IUPAC name of (4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate (CID 143227098) is (4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate.
What is the SMILES notation for (4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate?
The canonical SMILES for (4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate is CC(NC(=O)Oc1ccc(C(C)(C)C)cc1)c1ccc(N)cc1.
What is the InChIKey of (4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate?
The InChIKey is PTUGVPREIYFRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(14-5-9-16(20)10-6-14)21-18(22)23-17-11-7-15(8-12-17)19(2,3)4/h5-13H,20H2,1-4H3,(H,21,22).
What are the key properties of (4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate?
(4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate is sourced from PubChem (CID 143227098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).