tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate

C21H26N2O4 — CID 20786184

IUPACtert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate
SMILESCCC(O)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-5-18(24)14-10-12-15(13-11-14)19(25)22-16-8-6-7-9-17(16)23-20(26)27-21(2,3)4/h6-13,18,24H,5H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyURONBHXQGRKVAO-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.73
Rot. Bonds5

About tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate

tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate (PubChem CID 20786184) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate
PubChem CID20786184
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Nametert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate
SMILESCCC(O)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-5-18(24)14-10-12-15(13-11-14)19(25)22-16-8-6-7-9-17(16)23-20(26)27-21(2,3)4/h6-13,18,24H,5H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyURONBHXQGRKVAO-UHFFFAOYSA-N
XLogP4.73
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[(3,4-dimethoxybenzoyl)amino]-1-hydroxyethyl]benzoyl]amino]phenyl]carbamate
CID 20786185
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[2-(benzoylamino)phenyl]carbamate;yttrium;hydrate
CID 58001092
tert-butyl 4-(1-hydroxypropyl)benzoate
CID 21473763
tert-butyl N-[(1S)-1-[4-(1-hydroxypropyl)phenyl]ethyl]carbamate
CID 59861757
tert-butyl N-[2-[[4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoyl]amino]phenyl]carbamate;ethane
CID 176715043
[2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid
CID 66622033
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoate
CID 107240144
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-[2-[[4-[4-hydroxy-2-(phenylcarbamoyl)butyl]benzoyl]amino]phenyl]carbamate
CID 58001205
tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate
CID 107240279

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate (CID 20786184) is tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate is CCC(O)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate?
The InChIKey is URONBHXQGRKVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-18(24)14-10-12-15(13-11-14)19(25)22-16-8-6-7-9-17(16)23-20(26)27-21(2,3)4/h6-13,18,24H,5H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate?
tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 4.73, 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-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 20786184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).