(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide

C20H24N2O4 — CID 7039405

IUPAC(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCCNC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-15(25-17-9-5-3-6-10-17)19(23)21-13-14-22-20(24)16(2)26-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16-/m1/s1
InChIKeyAGJJGIDEOYCAGH-HZPDHXFCSA-N
MW356.42 g/mol
LogP2.15
Rot. Bonds9

About (2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide (PubChem CID 7039405) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
PubChem CID7039405
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCCNC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-15(25-17-9-5-3-6-10-17)19(23)21-13-14-22-20(24)16(2)26-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16-/m1/s1
InChIKeyAGJJGIDEOYCAGH-HZPDHXFCSA-N
XLogP2.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.15
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

N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-ethyl-2-phenoxypropanamide
CID 4282518
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
N-(6-hydroxyhexyl)-2-phenoxypropanamide
CID 103919352
(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
CID 129417789
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
CID 103861668
N-methyl-2-phenoxypropanamide
CID 4626974

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide?
The IUPAC name of (2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide (CID 7039405) is (2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide?
The canonical SMILES for (2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide is C[C@@H](Oc1ccccc1)C(=O)NCCNC(=O)[C@@H](C)Oc1ccccc1.
What is the InChIKey of (2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide?
The InChIKey is AGJJGIDEOYCAGH-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15(25-17-9-5-3-6-10-17)19(23)21-13-14-22-20(24)16(2)26-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide?
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide has a molecular weight of 356.42 g/mol, XLogP of 2.15, 9 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-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide is sourced from PubChem (CID 7039405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).