N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide

C27H35FN4O3 — CID 11271627

IUPACN-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)CN2CCc3cc(F)ccc32)c1
InChIInChI=1S/C27H35FN4O3/c1-17(2)13-23(31-26(34)20-6-4-5-18(3)14-20)27(35)30-22(8-10-25(29)33)16-32-12-11-19-15-21(28)7-9-24(19)32/h4-7,9,14-15,17,22-23H,8,10-13,16H2,1-3H3,(H2,29,33)(H,30,35)(H,31,34)/t22-,23-/m0/s1
InChIKeyIXWGCNNUIATHKI-GOTSBHOMSA-N
MW482.60 g/mol
LogP3.09
Rot. Bonds11

About N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide

N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide (PubChem CID 11271627) has the molecular formula C27H35FN4O3 and a molecular weight of 482.60 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
PubChem CID11271627
Molecular FormulaC27H35FN4O3
Molecular Weight482.60 g/mol
Exact Mass482.27
IUPAC NameN-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)CN2CCc3cc(F)ccc32)c1
InChIInChI=1S/C27H35FN4O3/c1-17(2)13-23(31-26(34)20-6-4-5-18(3)14-20)27(35)30-22(8-10-25(29)33)16-32-12-11-19-15-21(28)7-9-24(19)32/h4-7,9,14-15,17,22-23H,8,10-13,16H2,1-3H3,(H2,29,33)(H,30,35)(H,31,34)/t22-,23-/m0/s1
InChIKeyIXWGCNNUIATHKI-GOTSBHOMSA-N
XLogP3.09
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide (CID 11271627) is N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)CN2CCc3cc(F)ccc32)c1.
What is the InChIKey of N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The InChIKey is IXWGCNNUIATHKI-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H35FN4O3/c1-17(2)13-23(31-26(34)20-6-4-5-18(3)14-20)27(35)30-22(8-10-25(29)33)16-32-12-11-19-15-21(28)7-9-24(19)32/h4-7,9,14-15,17,22-23H,8,10-13,16H2,1-3H3,(H2,29,33)(H,30,35)(H,31,34)/t22-,23-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide has a molecular weight of 482.60 g/mol, XLogP of 3.09, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-5-amino-1-(5-fluoro-2,3-dihydroindol-1-yl)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 11271627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).