(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide

C24H32N2O4 — CID 40796762

IUPAC(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
SMILESCC[C@H](Oc1ccc(C)cc1)C(=O)NCCNC(=O)[C@H](CC)Oc1ccc(C)cc1
InChIInChI=1S/C24H32N2O4/c1-5-21(29-19-11-7-17(3)8-12-19)23(27)25-15-16-26-24(28)22(6-2)30-20-13-9-18(4)10-14-20/h7-14,21-22H,5-6,15-16H2,1-4H3,(H,25,27)(H,26,28)/t21-,22-/m0/s1
InChIKeySQOLOCQQDKZPBD-VXKWHMMOSA-N
MW412.53 g/mol
LogP3.55
Rot. Bonds11

About (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide

(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide (PubChem CID 40796762) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
PubChem CID40796762
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
SMILESCC[C@H](Oc1ccc(C)cc1)C(=O)NCCNC(=O)[C@H](CC)Oc1ccc(C)cc1
InChIInChI=1S/C24H32N2O4/c1-5-21(29-19-11-7-17(3)8-12-19)23(27)25-15-16-26-24(28)22(6-2)30-20-13-9-18(4)10-14-20/h7-14,21-22H,5-6,15-16H2,1-4H3,(H,25,27)(H,26,28)/t21-,22-/m0/s1
InChIKeySQOLOCQQDKZPBD-VXKWHMMOSA-N
XLogP3.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide 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-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
(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
2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
CID 4980761
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
CID 133211143
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132653717
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide?
The IUPAC name of (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide (CID 40796762) is (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide.
What is the SMILES notation for (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide?
The canonical SMILES for (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide is CC[C@H](Oc1ccc(C)cc1)C(=O)NCCNC(=O)[C@H](CC)Oc1ccc(C)cc1.
What is the InChIKey of (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide?
The InChIKey is SQOLOCQQDKZPBD-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-5-21(29-19-11-7-17(3)8-12-19)23(27)25-15-16-26-24(28)22(6-2)30-20-13-9-18(4)10-14-20/h7-14,21-22H,5-6,15-16H2,1-4H3,(H,25,27)(H,26,28)/t21-,22-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide?
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide has a molecular weight of 412.53 g/mol, XLogP of 3.55, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide is sourced from PubChem (CID 40796762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).