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

C14H20N2O4 — CID 47456092

IUPACtert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-9-8-15-12(18)10-6-4-5-7-11(10)17/h4-7,17H,8-9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyYDOBTZFOBNFOJA-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.65
Rot. Bonds4

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

tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate (PubChem CID 47456092) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
PubChem CID47456092
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-9-8-15-12(18)10-6-4-5-7-11(10)17/h4-7,17H,8-9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyYDOBTZFOBNFOJA-UHFFFAOYSA-N
XLogP1.65
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768
tert-butyl N-[3-[2-[(2-bromobenzoyl)amino]ethylamino]-3-oxopropyl]carbamate
CID 108537195
tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate
CID 135140889
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
tert-butyl N-[2-[2-[(2-methylbenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537173
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571704
2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571703
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-[2-[[2-(butylcarbamoylsulfanyl)benzoyl]amino]ethyl]carbamate
CID 88873514

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate (CID 47456092) is tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1O.
What is the InChIKey of tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
The InChIKey is YDOBTZFOBNFOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-9-8-15-12(18)10-6-4-5-7-11(10)17/h4-7,17H,8-9H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 47456092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).