N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide

C25H30N2O4 — CID 10202460

IUPACN-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@]1(C)C(=O)CO[C@@H]1C
InChIInChI=1S/C25H30N2O4/c1-16(2)14-21(24(30)27-25(4)17(3)31-15-22(25)28)26-23(29)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,16-17,21H,14-15H2,1-4H3,(H,26,29)(H,27,30)/t17-,21-,25-/m1/s1
InChIKeyCNZQSVAPUPPKHO-IUBQTAPSSA-N
MW422.53 g/mol
LogP3.36
Rot. Bonds7

About N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide

N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide (PubChem CID 10202460) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
PubChem CID10202460
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@]1(C)C(=O)CO[C@@H]1C
InChIInChI=1S/C25H30N2O4/c1-16(2)14-21(24(30)27-25(4)17(3)31-15-22(25)28)26-23(29)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,16-17,21H,14-15H2,1-4H3,(H,26,29)(H,27,30)/t17-,21-,25-/m1/s1
InChIKeyCNZQSVAPUPPKHO-IUBQTAPSSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
CID 10155000
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide
CID 90833925
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-3-carboxamide
CID 91034750
4-tert-butyl-N-[(2S)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 10182535
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;sulfane
CID 159916584
(2S)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]-4-methylpentanamide;sulfane
CID 160769819
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
N-[1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 67698271
N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 54417217
N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
CID 90912947
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-pyrrolidin-1-ylbenzamide
CID 91339852

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide (CID 10202460) is N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide is CC(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@]1(C)C(=O)CO[C@@H]1C.
What is the InChIKey of N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide?
The InChIKey is CNZQSVAPUPPKHO-IUBQTAPSSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-16(2)14-21(24(30)27-25(4)17(3)31-15-22(25)28)26-23(29)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,16-17,21H,14-15H2,1-4H3,(H,26,29)(H,27,30)/t17-,21-,25-/m1/s1.
What are the key properties of N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide?
N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide has a molecular weight of 422.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 10202460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).