(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide

C22H28N2O4 — CID 7308793

IUPAC(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)NCCNC(=O)[C@@H](CC)Oc1ccccc1
InChIInChI=1S/C22H28N2O4/c1-3-19(27-17-11-7-5-8-12-17)21(25)23-15-16-24-22(26)20(4-2)28-18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3,(H,23,25)(H,24,26)/t19-,20+
InChIKeySVZQXGIJKCQXMN-BGYRXZFFSA-N
MW384.48 g/mol
LogP2.93
Rot. Bonds11

About (2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide

(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide (PubChem CID 7308793) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
PubChem CID7308793
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)NCCNC(=O)[C@@H](CC)Oc1ccccc1
InChIInChI=1S/C22H28N2O4/c1-3-19(27-17-11-7-5-8-12-17)21(25)23-15-16-24-22(26)20(4-2)28-18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3,(H,23,25)(H,24,26)/t19-,20+
InChIKeySVZQXGIJKCQXMN-BGYRXZFFSA-N
XLogP2.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
4-(2-phenoxybutanoylamino)butanoic acid
CID 43091993
N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
CID 60654444
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
methyl 2-(2-phenoxybutanoylamino)acetate
CID 4239659
N-(3-butoxypropyl)-2-phenoxybutanamide
CID 4557068
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
CID 102914465

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide?
The IUPAC name of (2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide (CID 7308793) is (2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide?
The canonical SMILES for (2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide is CC[C@H](Oc1ccccc1)C(=O)NCCNC(=O)[C@@H](CC)Oc1ccccc1.
What is the InChIKey of (2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide?
The InChIKey is SVZQXGIJKCQXMN-BGYRXZFFSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-19(27-17-11-7-5-8-12-17)21(25)23-15-16-24-22(26)20(4-2)28-18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3,(H,23,25)(H,24,26)/t19-,20+.
What are the key properties of (2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide?
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide has a molecular weight of 384.48 g/mol, XLogP of 2.93, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide is sourced from PubChem (CID 7308793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).