2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C18H27N3O2 — CID 94825706

IUPAC2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC[C@@H](C1CC1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14(15-3-4-15)20(2)13-18(22)19-16-5-7-17(8-6-16)21-9-11-23-12-10-21/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyXLKYAXNZRCDJCK-AWEZNQCLSA-N
MW317.43 g/mol
LogP2.19
Rot. Bonds6

About 2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 94825706) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID94825706
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC[C@@H](C1CC1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14(15-3-4-15)20(2)13-18(22)19-16-5-7-17(8-6-16)21-9-11-23-12-10-21/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyXLKYAXNZRCDJCK-AWEZNQCLSA-N
XLogP2.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
CID 55430711
2-[[(1S)-1-cyanoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592711
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592720
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
(2R)-N-cyclohexyl-N-ethyl-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 8592730
(2S)-N-cyclohexyl-N-ethyl-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 8592732
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[methyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55504037
(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 94825706) is 2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is C[C@@H](C1CC1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is XLKYAXNZRCDJCK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(15-3-4-15)20(2)13-18(22)19-16-5-7-17(8-6-16)21-9-11-23-12-10-21/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 94825706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).