N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide

C20H24N2O3 — CID 92844284

IUPACN-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide
SMILESC[C@@H](CC(=O)NCCCOc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-16(22-20(24)17-9-4-2-5-10-17)15-19(23)21-13-8-14-25-18-11-6-3-7-12-18/h2-7,9-12,16H,8,13-15H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyIGWBCGGVDIYVJV-INIZCTEOSA-N
MW340.42 g/mol
LogP2.78
Rot. Bonds9

About N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide

N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide (PubChem CID 92844284) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide
PubChem CID92844284
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide
SMILESC[C@@H](CC(=O)NCCCOc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-16(22-20(24)17-9-4-2-5-10-17)15-19(23)21-13-8-14-25-18-11-6-3-7-12-18/h2-7,9-12,16H,8,13-15H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyIGWBCGGVDIYVJV-INIZCTEOSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-benzamidobutanoylamino)butanoate
CID 46419094
methyl 3-(3-benzamidobutanoylamino)propanoate
CID 134049234
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
CID 62378949
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826
N-[2-[[(3S)-3-benzamidobutanoyl]amino]ethyl]-3,4-dichlorobenzamide
CID 38993001
methyl 3-benzamidobutanoate
CID 10857046
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide?
The IUPAC name of N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide (CID 92844284) is N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide is C[C@@H](CC(=O)NCCCOc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide?
The InChIKey is IGWBCGGVDIYVJV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16(22-20(24)17-9-4-2-5-10-17)15-19(23)21-13-8-14-25-18-11-6-3-7-12-18/h2-7,9-12,16H,8,13-15H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide?
N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide is sourced from PubChem (CID 92844284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).