(4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide

C20H33NO3 — CID 95159349

IUPAC(4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H33NO3/c1-15(2)24-14-6-13-21-19(23)12-11-18(22)16-7-9-17(10-8-16)20(3,4)5/h7-10,15,18,22H,6,11-14H2,1-5H3,(H,21,23)/t18-/m1/s1
InChIKeyGHYZLKFQTPGNHB-GOSISDBHSA-N
MW335.49 g/mol
LogP3.73
Rot. Bonds9

About (4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide

(4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 95159349) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is (4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name(4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID95159349
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name(4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H33NO3/c1-15(2)24-14-6-13-21-19(23)12-11-18(22)16-7-9-17(10-8-16)20(3,4)5/h7-10,15,18,22H,6,11-14H2,1-5H3,(H,21,23)/t18-/m1/s1
InChIKeyGHYZLKFQTPGNHB-GOSISDBHSA-N
XLogP3.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]butanamide
CID 25172212
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
4-(3,4-dimethylphenyl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 108796702

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of (4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide (CID 95159349) is (4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for (4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for (4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide is CC(C)OCCCNC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is GHYZLKFQTPGNHB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33NO3/c1-15(2)24-14-6-13-21-19(23)12-11-18(22)16-7-9-17(10-8-16)20(3,4)5/h7-10,15,18,22H,6,11-14H2,1-5H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide?
(4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 335.49 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 95159349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).