tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate

C16H26N2O3 — CID 107250360

IUPACtert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate
SMILESCCC(CNCc1cccc(O)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-5-13(18-15(20)21-16(2,3)4)11-17-10-12-7-6-8-14(19)9-12/h6-9,13,17,19H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyKTKYJWRPTORJLZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.79
Rot. Bonds6

About tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate

tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate (PubChem CID 107250360) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate
PubChem CID107250360
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate
SMILESCCC(CNCc1cccc(O)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-5-13(18-15(20)21-16(2,3)4)11-17-10-12-7-6-8-14(19)9-12/h6-9,13,17,19H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyKTKYJWRPTORJLZ-UHFFFAOYSA-N
XLogP2.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate
CID 107250395
tert-butyl N-[1-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250323
tert-butyl N-[1-[(3,5-dibromo-4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107741164
tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 107250270
tert-butyl N-[1-[(3-bromo-4-chlorophenyl)methylamino]butan-2-yl]carbamate
CID 107250724
tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl N-[1-[[3-(difluoromethyl)phenyl]methylamino]propan-2-yl]carbamate
CID 107247607
tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate
CID 107250372
tert-butyl N-[1-[(2-hydroxy-5-methoxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250677
tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate
CID 84730384
tert-butyl N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250458

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate (CID 107250360) is tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate is CCC(CNCc1cccc(O)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate?
The InChIKey is KTKYJWRPTORJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-13(18-15(20)21-16(2,3)4)11-17-10-12-7-6-8-14(19)9-12/h6-9,13,17,19H,5,10-11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate?
tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate has a molecular weight of 294.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate is sourced from PubChem (CID 107250360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).