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

C23H30N2O4 — CID 40579725

IUPAC(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1
InChIInChI=1S/C23H30N2O4/c1-4-20(28-18-12-8-6-9-13-18)22(26)24-16-17(3)25-23(27)21(5-2)29-19-14-10-7-11-15-19/h6-15,17,20-21H,4-5,16H2,1-3H3,(H,24,26)(H,25,27)/t17-,20+,21-/m1/s1
InChIKeyRMUCSSBKPCCFHD-JRGCBEDISA-N
MW398.50 g/mol
LogP3.32
Rot. Bonds11

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

(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide (PubChem CID 40579725) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
PubChem CID40579725
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1
InChIInChI=1S/C23H30N2O4/c1-4-20(28-18-12-8-6-9-13-18)22(26)24-16-17(3)25-23(27)21(5-2)29-19-14-10-7-11-15-19/h6-15,17,20-21H,4-5,16H2,1-3H3,(H,24,26)(H,25,27)/t17-,20+,21-/m1/s1
InChIKeyRMUCSSBKPCCFHD-JRGCBEDISA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide with MolForge

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Related Compounds

2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
CID 4980761
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
CID 102914465
2-methyl-3-(2-phenoxybutanoylamino)propanoic acid
CID 62676386
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(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
3-methyl-2-[(2-phenoxybutanoylamino)methyl]butanoic acid
CID 65220479
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132652458

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide?
The IUPAC name of (2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide (CID 40579725) is (2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide?
The canonical SMILES for (2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide is CC[C@H](Oc1ccccc1)C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1.
What is the InChIKey of (2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide?
The InChIKey is RMUCSSBKPCCFHD-JRGCBEDISA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-20(28-18-12-8-6-9-13-18)22(26)24-16-17(3)25-23(27)21(5-2)29-19-14-10-7-11-15-19/h6-15,17,20-21H,4-5,16H2,1-3H3,(H,24,26)(H,25,27)/t17-,20+,21-/m1/s1.
What are the key properties of (2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide?
(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide has a molecular weight of 398.50 g/mol, XLogP of 3.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide is sourced from PubChem (CID 40579725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).