tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate

C15H22N2O4 — CID 118973665

IUPACtert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-10-4-9-16-13(19)11-5-7-12(18)8-6-11/h5-8,18H,4,9-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUEUKHNNREKFRIO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.04
Rot. Bonds5

About tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate

tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate (PubChem CID 118973665) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
PubChem CID118973665
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-10-4-9-16-13(19)11-5-7-12(18)8-6-11/h5-8,18H,4,9-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUEUKHNNREKFRIO-UHFFFAOYSA-N
XLogP2.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
tert-butyl N-[3-[(4-isocyanobenzoyl)amino]propyl]carbamate
CID 140808849
tert-butyl N-[3-[3-[(4-tert-butylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921611
tert-butyl N-[1-[2-[(4-hydroxybenzoyl)amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 55869614
tert-butyl N-[3-[3-[(4-methylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921542
tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate
CID 167437352
tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
tert-butyl N-[5-[(4-ethynylbenzoyl)amino]pentyl]carbamate
CID 155928446
tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate
CID 166946744
tert-butyl N-[3-[(4-amino-3-methylbenzoyl)amino]propyl]carbamate
CID 104932611
tert-butyl N-[3-[(3-amino-4-methylbenzoyl)amino]propyl]carbamate
CID 104932578

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate (CID 118973665) is tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate?
The InChIKey is UEUKHNNREKFRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-10-4-9-16-13(19)11-5-7-12(18)8-6-11/h5-8,18H,4,9-10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate?
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate is sourced from PubChem (CID 118973665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).