tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate

C15H24N2O3 — CID 82539735

IUPACtert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(NCCCO)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(19)17-11-12-5-7-13(8-6-12)16-9-4-10-18/h5-8,16,18H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyBQWQZKQOJROIEO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.51
Rot. Bonds6

About tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate

tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate (PubChem CID 82539735) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate
PubChem CID82539735
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(NCCCO)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(19)17-11-12-5-7-13(8-6-12)16-9-4-10-18/h5-8,16,18H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyBQWQZKQOJROIEO-UHFFFAOYSA-N
XLogP2.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.51
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-(aminosulfanylamino)phenyl]methyl]carbamate
CID 142539793
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
tert-butyl N-[[4-(hexanoylamino)phenyl]methyl]carbamate
CID 46915206
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230
tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate
CID 142209832
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
tert-butyl N-[[4-(cyanomethyl)phenyl]methyl]carbamate
CID 131850271
methanidyl-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]azanium
CID 87107169
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
tert-butyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 164529549

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate (CID 82539735) is tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(NCCCO)cc1.
What is the InChIKey of tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate?
The InChIKey is BQWQZKQOJROIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-14(19)17-11-12-5-7-13(8-6-12)16-9-4-10-18/h5-8,16,18H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate?
tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 82539735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).