tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate

C20H24N2O5 — CID 67116705

IUPACtert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate
SMILESCOc1cc(CO)cc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H24N2O5/c1-20(2,3)27-19(25)22-17-8-6-5-7-16(17)21-18(24)14-9-13(12-23)10-15(11-14)26-4/h5-11,23H,12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyNKNWEGQIHGLXPQ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.79
Rot. Bonds5

About tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate

tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate (PubChem CID 67116705) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate
PubChem CID67116705
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Nametert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate
SMILESCOc1cc(CO)cc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H24N2O5/c1-20(2,3)27-19(25)22-17-8-6-5-7-16(17)21-18(24)14-9-13(12-23)10-15(11-14)26-4/h5-11,23H,12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyNKNWEGQIHGLXPQ-UHFFFAOYSA-N
XLogP3.79
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate
CID 89027172
tert-butyl N-[2-(benzoylamino)phenyl]carbamate;yttrium;hydrate
CID 58001092
tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485
3-(hydroxymethyl)-5-methoxybenzoic acid
CID 66589238
tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917372
tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate
CID 20786184
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate (CID 67116705) is tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate is COc1cc(CO)cc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate?
The InChIKey is NKNWEGQIHGLXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-20(2,3)27-19(25)22-17-8-6-5-7-16(17)21-18(24)14-9-13(12-23)10-15(11-14)26-4/h5-11,23H,12H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate?
tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate has a molecular weight of 372.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 67116705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).