[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate

C24H30N2O5 — CID 7899514

IUPAC[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C24H30N2O5/c1-4-30-21-14-12-20(13-15-21)24(29)25-16-22(27)31-18(3)23(28)26-17(2)10-11-19-8-6-5-7-9-19/h5-9,12-15,17-18H,4,10-11,16H2,1-3H3,(H,25,29)(H,26,28)/t17-,18+/m0/s1
InChIKeyMSFKVTKEPVCLAW-ZWKOTPCHSA-N
MW426.51 g/mol
LogP2.88
Rot. Bonds11

About [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate

[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7899514) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7899514
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C24H30N2O5/c1-4-30-21-14-12-20(13-15-21)24(29)25-16-22(27)31-18(3)23(28)26-17(2)10-11-19-8-6-5-7-9-19/h5-9,12-15,17-18H,4,10-11,16H2,1-3H3,(H,25,29)(H,26,28)/t17-,18+/m0/s1
InChIKeyMSFKVTKEPVCLAW-ZWKOTPCHSA-N
XLogP2.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273902
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8943779
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320290
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 25483291
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884563
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42962919
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-(trifluoromethyl)benzoate
CID 7859898
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(4-cyanophenoxy)acetate
CID 7843086
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884811
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320179
3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 46853566

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 7899514) is [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is MSFKVTKEPVCLAW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-4-30-21-14-12-20(13-15-21)24(29)25-16-22(27)31-18(3)23(28)26-17(2)10-11-19-8-6-5-7-9-19/h5-9,12-15,17-18H,4,10-11,16H2,1-3H3,(H,25,29)(H,26,28)/t17-,18+/m0/s1.
What are the key properties of [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 426.51 g/mol, XLogP of 2.88, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7899514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).