(2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide

C21H29NO2 — CID 8923558

IUPAC(2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO2/c1-2-19(24-18-6-4-3-5-7-18)20(23)22-14-21-11-15-8-16(12-21)10-17(9-15)13-21/h3-7,15-17,19H,2,8-14H2,1H3,(H,22,23)/t15?,16?,17?,19-,21?/m1/s1
InChIKeyUTWRZQOBKAHJMK-WRUMOOJNSA-N
MW327.47 g/mol
LogP4.18
Rot. Bonds6

About (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide

(2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide (PubChem CID 8923558) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide
PubChem CID8923558
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name(2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO2/c1-2-19(24-18-6-4-3-5-7-18)20(23)22-14-21-11-15-8-16(12-21)10-17(9-15)13-21/h3-7,15-17,19H,2,8-14H2,1H3,(H,22,23)/t15?,16?,17?,19-,21?/m1/s1
InChIKeyUTWRZQOBKAHJMK-WRUMOOJNSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(1-adamantyl)-2-phenoxybutanamide
CID 40579727
(2R)-N-(1-adamantyl)-2-phenoxybutanamide
CID 40584781
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
(2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 7309794
[2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833521
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
CID 7555677
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide?
The IUPAC name of (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide (CID 8923558) is (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide?
The InChIKey is UTWRZQOBKAHJMK-WRUMOOJNSA-N. The full InChI is InChI=1S/C21H29NO2/c1-2-19(24-18-6-4-3-5-7-18)20(23)22-14-21-11-15-8-16(12-21)10-17(9-15)13-21/h3-7,15-17,19H,2,8-14H2,1H3,(H,22,23)/t15?,16?,17?,19-,21?/m1/s1.
What are the key properties of (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide?
(2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide has a molecular weight of 327.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide is sourced from PubChem (CID 8923558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).