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

C15H22N2O4 — CID 52859596

IUPACtert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)Cc1ccccc1O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-9-8-16-13(19)10-11-6-4-5-7-12(11)18/h4-7,18H,8-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyHTFUTNTVACYIBK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.58
Rot. Bonds5

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

tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate (PubChem CID 52859596) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
PubChem CID52859596
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)Cc1ccccc1O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-9-8-16-13(19)10-11-6-4-5-7-12(11)18/h4-7,18H,8-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyHTFUTNTVACYIBK-UHFFFAOYSA-N
XLogP1.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.58
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-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
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CID 108916244
tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate
CID 115644655
tert-butyl N-[3-[3-[[2-(2-methylphenyl)acetyl]amino]propylamino]-3-oxopropyl]carbamate
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CID 78994089
tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate
CID 84729781
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[(2-chloro-3-hydroxyphenyl)methyl]carbamate
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tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]ethyl]carbamate
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tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
CID 71936523
tert-butyl N-[2-[3-[[2-(2-fluorophenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918808

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate (CID 52859596) is tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)Cc1ccccc1O.
What is the InChIKey of tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate?
The InChIKey is HTFUTNTVACYIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-9-8-16-13(19)10-11-6-4-5-7-12(11)18/h4-7,18H,8-10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.58, 5 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-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 52859596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).