tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate

C15H24N2O3 — CID 82539760

IUPACtert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
SMILESCC(O)CNc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-11(18)9-16-13-7-5-6-12(8-13)10-17-14(19)20-15(2,3)4/h5-8,11,16,18H,9-10H2,1-4H3,(H,17,19)
InChIKeyHZRCIDXJDHJFGI-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.50
Rot. Bonds5

About tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate

tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate (PubChem CID 82539760) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
PubChem CID82539760
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
SMILESCC(O)CNc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-11(18)9-16-13-7-5-6-12(8-13)10-17-14(19)20-15(2,3)4/h5-8,11,16,18H,9-10H2,1-4H3,(H,17,19)
InChIKeyHZRCIDXJDHJFGI-UHFFFAOYSA-N
XLogP2.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
CID 166686967
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
CID 107244699
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
CID 103936425
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[[3-(heptan-4-ylamino)phenyl]methyl]carbamate
CID 107244673
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
CID 107244633
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
tert-butyl N-[[3-(3-chloroanilino)phenyl]methyl]carbamate
CID 110452782
tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435
tert-butyl N-[[3-[(3-bromothiophen-2-yl)methylamino]phenyl]methyl]carbamate
CID 104756662
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate (CID 82539760) is tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate is CC(O)CNc1cccc(CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate?
The InChIKey is HZRCIDXJDHJFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(18)9-16-13-7-5-6-12(8-13)10-17-14(19)20-15(2,3)4/h5-8,11,16,18H,9-10H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate?
tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.50, 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-(2-hydroxypropylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 82539760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).