tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate

C19H23N3O5 — CID 110613457

IUPACtert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(OCCNC(=O)c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)22-14-5-4-6-15(11-14)26-10-9-20-17(24)13-7-8-16(23)21-12-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyXASJGOCEKUSVEU-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.53
Rot. Bonds6

About tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate

tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate (PubChem CID 110613457) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate
PubChem CID110613457
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nametert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(OCCNC(=O)c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)22-14-5-4-6-15(11-14)26-10-9-20-17(24)13-7-8-16(23)21-12-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyXASJGOCEKUSVEU-UHFFFAOYSA-N
XLogP2.53
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
CID 24533397
tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
CID 27758271
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-[3-[2-(3-aminopropylamino)ethoxy]phenyl]carbamate
CID 107243446
tert-butyl N-[3-[2-[(2-chloro-5-nitrobenzoyl)amino]ethoxy]phenyl]carbamate
CID 139950398
tert-butyl N-[4-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]phenyl]carbamate
CID 46423513
tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate
CID 107243444
tert-butyl N-[2-[[N-[2-(3-acetamidophenoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884423
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate
CID 118056664
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate (CID 110613457) is tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(OCCNC(=O)c2ccc(=O)[nH]c2)c1.
What is the InChIKey of tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate?
The InChIKey is XASJGOCEKUSVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)22-14-5-4-6-15(11-14)26-10-9-20-17(24)13-7-8-16(23)21-12-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate?
tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate is sourced from PubChem (CID 110613457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).