N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide

C27H41FN4O3 — CID 23648410

IUPACN-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESC[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C27H41FN4O3/c1-19(18-32-24-10-9-22(28)16-21(24)17-27(32,2)3)29-25(33)23(15-20-7-5-4-6-8-20)30-26(34)31-11-13-35-14-12-31/h9-10,16,19-20,23H,4-8,11-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,23-/m0/s1
InChIKeyJNAXFDJSLFWSBK-CVDCTZTESA-N
MW488.65 g/mol
LogP3.85
Rot. Bonds7

About N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 23648410) has the molecular formula C27H41FN4O3 and a molecular weight of 488.65 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID23648410
Molecular FormulaC27H41FN4O3
Molecular Weight488.65 g/mol
Exact Mass488.32
IUPAC NameN-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESC[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C27H41FN4O3/c1-19(18-32-24-10-9-22(28)16-21(24)17-27(32,2)3)29-25(33)23(15-20-7-5-4-6-8-20)30-26(34)31-11-13-35-14-12-31/h9-10,16,19-20,23H,4-8,11-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,23-/m0/s1
InChIKeyJNAXFDJSLFWSBK-CVDCTZTESA-N
XLogP3.85
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 23648410) is N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide is C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is JNAXFDJSLFWSBK-CVDCTZTESA-N. The full InChI is InChI=1S/C27H41FN4O3/c1-19(18-32-24-10-9-22(28)16-21(24)17-27(32,2)3)29-25(33)23(15-20-7-5-4-6-8-20)30-26(34)31-11-13-35-14-12-31/h9-10,16,19-20,23H,4-8,11-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,23-/m0/s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 488.65 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 23648410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).