[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

C25H32N2O4 — CID 9492415

IUPAC[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCC[C@H](C)N(C(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](C)CC
InChIInChI=1S/C25H32N2O4/c1-5-18(3)27(19(4)6-2)23(28)17-31-24(29)16-26-25(30)22-14-12-21(13-15-22)20-10-8-7-9-11-20/h7-15,18-19H,5-6,16-17H2,1-4H3,(H,26,30)/t18-,19-/m0/s1
InChIKeyYKJZAUXBNYBIEM-OALUTQOASA-N
MW424.54 g/mol
LogP4.05
Rot. Bonds10

About [2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 9492415) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is [2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID9492415
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCC[C@H](C)N(C(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](C)CC
InChIInChI=1S/C25H32N2O4/c1-5-18(3)27(19(4)6-2)23(28)17-31-24(29)16-26-25(30)22-14-12-21(13-15-22)20-10-8-7-9-11-20/h7-15,18-19H,5-6,16-17H2,1-4H3,(H,26,30)/t18-,19-/m0/s1
InChIKeyYKJZAUXBNYBIEM-OALUTQOASA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921273
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7783025
N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide
CID 2169877
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880432
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854675
ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid
CID 143394399
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 55366683
N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide
CID 18169121
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854688

Frequently Asked Questions

What is the IUPAC name of [2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 9492415) is [2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is CC[C@H](C)N(C(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](C)CC.
What is the InChIKey of [2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is YKJZAUXBNYBIEM-OALUTQOASA-N. The full InChI is InChI=1S/C25H32N2O4/c1-5-18(3)27(19(4)6-2)23(28)17-31-24(29)16-26-25(30)22-14-12-21(13-15-22)20-10-8-7-9-11-20/h7-15,18-19H,5-6,16-17H2,1-4H3,(H,26,30)/t18-,19-/m0/s1.
What are the key properties of [2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 424.54 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 9492415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).