tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate

C26H28N4O5 — CID 22668094

IUPACtert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate
SMILESCOC(C(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1)c1cccnc1
InChIInChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)30-21-10-6-5-9-20(21)29-23(31)17-11-13-19(14-12-17)28-24(32)22(34-4)18-8-7-15-27-16-18/h5-16,22H,1-4H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeyLZVIGRAEJQTFNH-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.01
Rot. Bonds7

About tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate

tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate (PubChem CID 22668094) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate
PubChem CID22668094
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Nametert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate
SMILESCOC(C(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1)c1cccnc1
InChIInChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)30-21-10-6-5-9-20(21)29-23(31)17-11-13-19(14-12-17)28-24(32)22(34-4)18-8-7-15-27-16-18/h5-16,22H,1-4H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeyLZVIGRAEJQTFNH-UHFFFAOYSA-N
XLogP5.01
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate with MolForge

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Related Compounds

4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
CID 12069537
N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide
CID 68648508
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
CID 22668191
(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927
tert-butyl N-[2-(benzoylamino)phenyl]carbamate;yttrium;hydrate
CID 58001092
tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate
CID 20786184
tert-butyl N-[2-[[4-[4-hydroxy-2-(phenylcarbamoyl)butyl]benzoyl]amino]phenyl]carbamate
CID 58001205
tert-butyl N-[2-[[4-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]benzoyl]amino]phenyl]carbamate
CID 42625815
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758
2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 119253867

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate (CID 22668094) is tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate is COC(C(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1)c1cccnc1.
What is the InChIKey of tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate?
The InChIKey is LZVIGRAEJQTFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)30-21-10-6-5-9-20(21)29-23(31)17-11-13-19(14-12-17)28-24(32)22(34-4)18-8-7-15-27-16-18/h5-16,22H,1-4H3,(H,28,32)(H,29,31)(H,30,33).
What are the key properties of tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate?
tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate has a molecular weight of 476.53 g/mol, XLogP of 5.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 22668094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).