N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane

C30H38F3N3O5 — CID 145361245

IUPACN-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane
SMILESCCC.COc1ccc(C(NC(=O)[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)C(=O)NCC(=O)C(F)(F)F)cc1
InChIInChI=1S/C27H30F3N3O5.C3H8/c1-17(32-25(37)26(14-6-7-15-26)19-8-4-3-5-9-19)23(35)33-22(18-10-12-20(38-2)13-11-18)24(36)31-16-21(34)27(28,29)30;1-3-2/h3-5,8-13,17,22H,6-7,14-16H2,1-2H3,(H,31,36)(H,32,37)(H,33,35);3H2,1-2H3/t17-,22?;/m0./s1
InChIKeyWPMFVCJZZKZLIJ-QPQWPYBDSA-N
MW577.64 g/mol
LogP4.53
Rot. Bonds10

About N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane

N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane (PubChem CID 145361245) has the molecular formula C30H38F3N3O5 and a molecular weight of 577.64 g/mol. Its IUPAC name is N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane.

Molecular Properties

Compound NameN-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane
PubChem CID145361245
Molecular FormulaC30H38F3N3O5
Molecular Weight577.64 g/mol
Exact Mass577.28
IUPAC NameN-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane
SMILESCCC.COc1ccc(C(NC(=O)[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)C(=O)NCC(=O)C(F)(F)F)cc1
InChIInChI=1S/C27H30F3N3O5.C3H8/c1-17(32-25(37)26(14-6-7-15-26)19-8-4-3-5-9-19)23(35)33-22(18-10-12-20(38-2)13-11-18)24(36)31-16-21(34)27(28,29)30;1-3-2/h3-5,8-13,17,22H,6-7,14-16H2,1-2H3,(H,31,36)(H,32,37)(H,33,35);3H2,1-2H3/t17-,22?;/m0./s1
InChIKeyWPMFVCJZZKZLIJ-QPQWPYBDSA-N
XLogP4.53
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.64
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane?
The IUPAC name of N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane (CID 145361245) is N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane.
What is the SMILES notation for N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane?
The canonical SMILES for N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane is CCC.COc1ccc(C(NC(=O)[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)C(=O)NCC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane?
The InChIKey is WPMFVCJZZKZLIJ-QPQWPYBDSA-N. The full InChI is InChI=1S/C27H30F3N3O5.C3H8/c1-17(32-25(37)26(14-6-7-15-26)19-8-4-3-5-9-19)23(35)33-22(18-10-12-20(38-2)13-11-18)24(36)31-16-21(34)27(28,29)30;1-3-2/h3-5,8-13,17,22H,6-7,14-16H2,1-2H3,(H,31,36)(H,32,37)(H,33,35);3H2,1-2H3/t17-,22?;/m0./s1.
What are the key properties of N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane?
N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane has a molecular weight of 577.64 g/mol, XLogP of 4.53, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[(3,3,3-trifluoro-2-oxopropyl)amino]ethyl]amino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide;propane is sourced from PubChem (CID 145361245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).