2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide

C18H25ClN4O3 — CID 39998854

IUPAC2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CNc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C18H25ClN4O3/c1-22(12-16(24)21-13-5-6-13)17(25)11-20-15-4-2-3-14(19)18(15)23-7-9-26-10-8-23/h2-4,13,20H,5-12H2,1H3,(H,21,24)
InChIKeyUHACHBZRUOYFEV-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.33
Rot. Bonds7

About 2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide

2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 39998854) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID39998854
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CNc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C18H25ClN4O3/c1-22(12-16(24)21-13-5-6-13)17(25)11-20-15-4-2-3-14(19)18(15)23-7-9-26-10-8-23/h2-4,13,20H,5-12H2,1H3,(H,21,24)
InChIKeyUHACHBZRUOYFEV-UHFFFAOYSA-N
XLogP1.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide (CID 39998854) is 2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)NC1CC1)C(=O)CNc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of 2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is UHACHBZRUOYFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c1-22(12-16(24)21-13-5-6-13)17(25)11-20-15-4-2-3-14(19)18(15)23-7-9-26-10-8-23/h2-4,13,20H,5-12H2,1H3,(H,21,24).
What are the key properties of 2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide?
2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 380.88 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-morpholin-4-ylanilino)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 39998854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).