(2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide

C16H26N2O2 — CID 124757849

IUPAC(2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide
SMILESCC[C@H](C(=O)NC(C)(C)C)N(C)Cc1cccc(O)c1
InChIInChI=1S/C16H26N2O2/c1-6-14(15(20)17-16(2,3)4)18(5)11-12-8-7-9-13(19)10-12/h7-10,14,19H,6,11H2,1-5H3,(H,17,20)/t14-/m1/s1
InChIKeyXDEIPPIMCRCYRY-CQSZACIVSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds5

About (2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide

(2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide (PubChem CID 124757849) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide
PubChem CID124757849
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide
SMILESCC[C@H](C(=O)NC(C)(C)C)N(C)Cc1cccc(O)c1
InChIInChI=1S/C16H26N2O2/c1-6-14(15(20)17-16(2,3)4)18(5)11-12-8-7-9-13(19)10-12/h7-10,14,19H,6,11H2,1-5H3,(H,17,20)/t14-/m1/s1
InChIKeyXDEIPPIMCRCYRY-CQSZACIVSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methyl-methylamino]butanehydrazide
CID 55212097
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
CID 132760854
N-tert-butyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132704509
3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
CID 82977466
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132704519
N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 84820781
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide
CID 132704423
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132712901
2-[(3-aminophenyl)methyl-propan-2-ylamino]-N-tert-butylpropanamide
CID 43460327

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide (CID 124757849) is (2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide is CC[C@H](C(=O)NC(C)(C)C)N(C)Cc1cccc(O)c1.
What is the InChIKey of (2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide?
The InChIKey is XDEIPPIMCRCYRY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-14(15(20)17-16(2,3)4)18(5)11-12-8-7-9-13(19)10-12/h7-10,14,19H,6,11H2,1-5H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide?
(2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(3-hydroxyphenyl)methyl-methylamino]butanamide is sourced from PubChem (CID 124757849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).