(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide

C17H26N2O3 — CID 51922854

IUPAC(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1cc(C(C)(C)C)ccc1O)C(C)C
InChIInChI=1S/C17H26N2O3/c1-10(2)15(18-11(3)20)16(22)19-13-9-12(17(4,5)6)7-8-14(13)21/h7-10,15,21H,1-6H3,(H,18,20)(H,19,22)/t15-/m1/s1
InChIKeyNHJCSLNFBRJQCS-OAHLLOKOSA-N
MW306.41 g/mol
LogP2.79
Rot. Bonds4

About (2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide

(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide (PubChem CID 51922854) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide
PubChem CID51922854
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1cc(C(C)(C)C)ccc1O)C(C)C
InChIInChI=1S/C17H26N2O3/c1-10(2)15(18-11(3)20)16(22)19-13-9-12(17(4,5)6)7-8-14(13)21/h7-10,15,21H,1-6H3,(H,18,20)(H,19,22)/t15-/m1/s1
InChIKeyNHJCSLNFBRJQCS-OAHLLOKOSA-N
XLogP2.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
(2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide
CID 39951259
N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide
CID 139610538
(Z)-4-(5-tert-butyl-2-hydroxyanilino)pent-3-en-2-one
CID 139061491
(Z)-4-(5-tert-butyl-2-hydroxyanilino)-4-oxobut-2-enoic acid
CID 101041653
(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 103930266
4-tert-butyl-2-(propan-2-ylamino)phenol
CID 23106838
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide
CID 60728820
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 40917712
2-[(2-acetamido-3-methylbutanoyl)amino]-5-methylbenzoic acid
CID 43172076
2-[(2-acetamido-3-methylbutanoyl)amino]-4-bromobenzoic acid
CID 60916925

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide (CID 51922854) is (2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide is CC(=O)N[C@@H](C(=O)Nc1cc(C(C)(C)C)ccc1O)C(C)C.
What is the InChIKey of (2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide?
The InChIKey is NHJCSLNFBRJQCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-10(2)15(18-11(3)20)16(22)19-13-9-12(17(4,5)6)7-8-14(13)21/h7-10,15,21H,1-6H3,(H,18,20)(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide?
(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide has a molecular weight of 306.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 51922854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).