2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide

C21H32N4O3 — CID 120916333

IUPAC2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC2CCCC2C2COCCN2)cc1
InChIInChI=1S/C21H32N4O3/c26-21(14-25-9-12-27-13-10-25)24-17-6-4-16(5-7-17)23-19-3-1-2-18(19)20-15-28-11-8-22-20/h4-7,18-20,22-23H,1-3,8-15H2,(H,24,26)
InChIKeyUPTCRSHBVRSLMC-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.53
Rot. Bonds6

About 2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide

2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide (PubChem CID 120916333) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide
PubChem CID120916333
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC2CCCC2C2COCCN2)cc1
InChIInChI=1S/C21H32N4O3/c26-21(14-25-9-12-27-13-10-25)24-17-6-4-16(5-7-17)23-19-3-1-2-18(19)20-15-28-11-8-22-20/h4-7,18-20,22-23H,1-3,8-15H2,(H,24,26)
InChIKeyUPTCRSHBVRSLMC-UHFFFAOYSA-N
XLogP1.53
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide (CID 120916333) is 2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide is O=C(CN1CCOCC1)Nc1ccc(NC2CCCC2C2COCCN2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide?
The InChIKey is UPTCRSHBVRSLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c26-21(14-25-9-12-27-13-10-25)24-17-6-4-16(5-7-17)23-19-3-1-2-18(19)20-15-28-11-8-22-20/h4-7,18-20,22-23H,1-3,8-15H2,(H,24,26).
What are the key properties of 2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide?
2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide is sourced from PubChem (CID 120916333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).