[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate

C23H28N2O4 — CID 25163490

IUPAC[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OC(C)C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-16-9-7-8-12-20(16)23(28)24-15-21(26)29-18(3)22(27)25-17(2)13-14-19-10-5-4-6-11-19/h4-12,17-18H,13-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyYQVSPWXQZCENRJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.79
Rot. Bonds9

About [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate

[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 25163490) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate
PubChem CID25163490
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OC(C)C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-16-9-7-8-12-20(16)23(28)24-15-21(26)29-18(3)22(27)25-17(2)13-14-19-10-5-4-6-11-19/h4-12,17-18H,13-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyYQVSPWXQZCENRJ-UHFFFAOYSA-N
XLogP2.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate (CID 25163490) is [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate is Cc1ccccc1C(=O)NCC(=O)OC(C)C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is YQVSPWXQZCENRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-9-7-8-12-20(16)23(28)24-15-21(26)29-18(3)22(27)25-17(2)13-14-19-10-5-4-6-11-19/h4-12,17-18H,13-15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate?
[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 396.49 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 25163490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).