(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide

C24H32N2O4 — CID 7449151

IUPAC(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)NCCCCNC(=O)[C@@H](CC)Oc1ccccc1
InChIInChI=1S/C24H32N2O4/c1-3-21(29-19-13-7-5-8-14-19)23(27)25-17-11-12-18-26-24(28)22(4-2)30-20-15-9-6-10-16-20/h5-10,13-16,21-22H,3-4,11-12,17-18H2,1-2H3,(H,25,27)(H,26,28)/t21-,22+
InChIKeyAUWGVQFVPINIFI-SZPZYZBQSA-N
MW412.53 g/mol
LogP3.71
Rot. Bonds13

About (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide

(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide (PubChem CID 7449151) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
PubChem CID7449151
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)NCCCCNC(=O)[C@@H](CC)Oc1ccccc1
InChIInChI=1S/C24H32N2O4/c1-3-21(29-19-13-7-5-8-14-19)23(27)25-17-11-12-18-26-24(28)22(4-2)30-20-15-9-6-10-16-20/h5-10,13-16,21-22H,3-4,11-12,17-18H2,1-2H3,(H,25,27)(H,26,28)/t21-,22+
InChIKeyAUWGVQFVPINIFI-SZPZYZBQSA-N
XLogP3.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide with MolForge

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Related Compounds

2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
(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
4-(2-phenoxybutanoylamino)butanoic acid
CID 43091993
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
N-(3-butoxypropyl)-2-phenoxybutanamide
CID 4557068
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
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-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
CID 102914465

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide?
The IUPAC name of (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide (CID 7449151) is (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide?
The canonical SMILES for (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide is CC[C@H](Oc1ccccc1)C(=O)NCCCCNC(=O)[C@@H](CC)Oc1ccccc1.
What is the InChIKey of (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide?
The InChIKey is AUWGVQFVPINIFI-SZPZYZBQSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-3-21(29-19-13-7-5-8-14-19)23(27)25-17-11-12-18-26-24(28)22(4-2)30-20-15-9-6-10-16-20/h5-10,13-16,21-22H,3-4,11-12,17-18H2,1-2H3,(H,25,27)(H,26,28)/t21-,22+.
What are the key properties of (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide?
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide has a molecular weight of 412.53 g/mol, XLogP of 3.71, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide is sourced from PubChem (CID 7449151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).