tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate

C19H23N3O4 — CID 55539748

IUPACtert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate
SMILESCOc1cc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)ccn1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)26-18(24)22-15-7-5-6-14(11-15)17(23)21-12-13-8-9-20-16(10-13)25-4/h5-11H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyMTCAYYSTLYJJCM-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.37
Rot. Bonds5

About tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate

tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate (PubChem CID 55539748) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate
PubChem CID55539748
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Nametert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate
SMILESCOc1cc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)ccn1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)26-18(24)22-15-7-5-6-14(11-15)17(23)21-12-13-8-9-20-16(10-13)25-4/h5-11H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyMTCAYYSTLYJJCM-UHFFFAOYSA-N
XLogP3.37
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 46470838
tert-butyl N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]phenyl]carbamate
CID 47036415
tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9209931
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
tert-butyl N-[3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 24536954
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
tert-butyl N-[3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 31166027
tert-butyl N-[4-[[(3-bromobenzoyl)amino]methyl]phenyl]carbamate
CID 141021076
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55659133
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate (CID 55539748) is tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate is COc1cc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)ccn1.
What is the InChIKey of tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate?
The InChIKey is MTCAYYSTLYJJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(2,3)26-18(24)22-15-7-5-6-14(11-15)17(23)21-12-13-8-9-20-16(10-13)25-4/h5-11H,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate?
tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate has a molecular weight of 357.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 55539748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).