tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate

C14H21N3O4 — CID 102739374

IUPACtert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-7-6-16-12(19)9-4-5-10(15)11(18)8-9/h4-5,8,18H,6-7,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyWOOAURJBIKZWRW-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.23
Rot. Bonds4

About tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate

tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate (PubChem CID 102739374) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
PubChem CID102739374
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nametert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-7-6-16-12(19)9-4-5-10(15)11(18)8-9/h4-5,8,18H,6-7,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyWOOAURJBIKZWRW-UHFFFAOYSA-N
XLogP1.23
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[(4-amino-3-methylbenzoyl)amino]propyl]carbamate
CID 104932611
tert-butyl N-[3-[(3-amino-4-methylbenzoyl)amino]propyl]carbamate
CID 104932578
tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate
CID 170855746
4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide
CID 107074095
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
tert-butyl N-[2-[[3-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]benzoyl]amino]ethyl]carbamate
CID 144646246
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
tert-butyl N-[2-[2-[2-[(4-aminobenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 102393692

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate (CID 102739374) is tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate?
The InChIKey is WOOAURJBIKZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-7-6-16-12(19)9-4-5-10(15)11(18)8-9/h4-5,8,18H,6-7,15H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate has a molecular weight of 295.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 102739374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).