1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

C28H35N3O5 — CID 142731502

IUPAC1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H35N3O5/c1-18(32)31-16-8-11-23(31)26(35)30-25(28(2,3)4)27(36)29-22(17-19-12-14-21(33)15-13-19)24(34)20-9-6-5-7-10-20/h5-7,9-10,12-15,22-23,25,33H,8,11,16-17H2,1-4H3,(H,29,36)(H,30,35)
InChIKeyAVOAEWDKGFPNNU-UHFFFAOYSA-N
MW493.60 g/mol
LogP2.84
Rot. Bonds8

About 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 142731502) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
PubChem CID142731502
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC Name1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H35N3O5/c1-18(32)31-16-8-11-23(31)26(35)30-25(28(2,3)4)27(36)29-22(17-19-12-14-21(33)15-13-19)24(34)20-9-6-5-7-10-20/h5-7,9-10,12-15,22-23,25,33H,8,11,16-17H2,1-4H3,(H,29,36)(H,30,35)
InChIKeyAVOAEWDKGFPNNU-UHFFFAOYSA-N
XLogP2.84
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

2-[[2-[[1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 139035701
2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid
CID 18238503
2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18238408
(2S)-1-acetyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 71372548
2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid
CID 18490610
2-[[2-[[2-[[1-(2,5-diaminopentanoyl)pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
CID 145335630
(2S)-2-[[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-benzoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 67870089
(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid
CID 175971285
1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 20841867
(2S)-1-acetyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 10254514
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 71572721
2-[[1-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 19950303

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (CID 142731502) is 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is AVOAEWDKGFPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-18(32)31-16-8-11-23(31)26(35)30-25(28(2,3)4)27(36)29-22(17-19-12-14-21(33)15-13-19)24(34)20-9-6-5-7-10-20/h5-7,9-10,12-15,22-23,25,33H,8,11,16-17H2,1-4H3,(H,29,36)(H,30,35).
What are the key properties of 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?
1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 493.60 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-[[3-(4-hydroxyphenyl)-1-oxo-1-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142731502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).