2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone

C18H25N3O3 — CID 51100852

IUPAC2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone
SMILESCc1cc(C(=O)N2CCCC2)ccc1NCC(=O)N1CCOCC1
InChIInChI=1S/C18H25N3O3/c1-14-12-15(18(23)21-6-2-3-7-21)4-5-16(14)19-13-17(22)20-8-10-24-11-9-20/h4-5,12,19H,2-3,6-11,13H2,1H3
InChIKeyMKSYOIFALYHZQC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.50
Rot. Bonds4

About 2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone

2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone (PubChem CID 51100852) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone
PubChem CID51100852
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone
SMILESCc1cc(C(=O)N2CCCC2)ccc1NCC(=O)N1CCOCC1
InChIInChI=1S/C18H25N3O3/c1-14-12-15(18(23)21-6-2-3-7-21)4-5-16(14)19-13-17(22)20-8-10-24-11-9-20/h4-5,12,19H,2-3,6-11,13H2,1H3
InChIKeyMKSYOIFALYHZQC-UHFFFAOYSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone (CID 51100852) is 2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone is Cc1cc(C(=O)N2CCCC2)ccc1NCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone?
The InChIKey is MKSYOIFALYHZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14-12-15(18(23)21-6-2-3-7-21)4-5-16(14)19-13-17(22)20-8-10-24-11-9-20/h4-5,12,19H,2-3,6-11,13H2,1H3.
What are the key properties of 2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone?
2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone has a molecular weight of 331.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 51100852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).