N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide

C18H25ClN4O4 — CID 1146668

IUPACN-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H25ClN4O4/c19-15-11-14(20-17(24)12-22-3-7-26-8-4-22)1-2-16(15)21-18(25)13-23-5-9-27-10-6-23/h1-2,11H,3-10,12-13H2,(H,20,24)(H,21,25)
InChIKeyGVDCJRSHGFLARB-UHFFFAOYSA-N
MW396.88 g/mol
LogP0.88
Rot. Bonds6

About N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide

N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 1146668) has the molecular formula C18H25ClN4O4 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide
PubChem CID1146668
Molecular FormulaC18H25ClN4O4
Molecular Weight396.88 g/mol
Exact Mass396.16
IUPAC NameN-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H25ClN4O4/c19-15-11-14(20-17(24)12-22-3-7-26-8-4-22)1-2-16(15)21-18(25)13-23-5-9-27-10-6-23/h1-2,11H,3-10,12-13H2,(H,20,24)(H,21,25)
InChIKeyGVDCJRSHGFLARB-UHFFFAOYSA-N
XLogP0.88
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide (CID 1146668) is N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is GVDCJRSHGFLARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O4/c19-15-11-14(20-17(24)12-22-3-7-26-8-4-22)1-2-16(15)21-18(25)13-23-5-9-27-10-6-23/h1-2,11H,3-10,12-13H2,(H,20,24)(H,21,25).
What are the key properties of N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide?
N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 396.88 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1146668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).