2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C17H27N3O2 — CID 119834774

IUPAC2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-14(11-18-2)17(21)19-12-15-5-3-4-6-16(15)13-20-7-9-22-10-8-20/h3-6,14,18H,7-13H2,1-2H3,(H,19,21)
InChIKeyVZXJOIPQAMHREH-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.99
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 119834774) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID119834774
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-14(11-18-2)17(21)19-12-15-5-3-4-6-16(15)13-20-7-9-22-10-8-20/h3-6,14,18H,7-13H2,1-2H3,(H,19,21)
InChIKeyVZXJOIPQAMHREH-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119697580
(2S)-2-(2-methoxyphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 95706646
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylpentanamide
CID 134049550
1-(1-cyclopropylethyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 134001880
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide
CID 31786572
(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 92784201
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 119834774) is 2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is CNCC(C)C(=O)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is VZXJOIPQAMHREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(11-18-2)17(21)19-12-15-5-3-4-6-16(15)13-20-7-9-22-10-8-20/h3-6,14,18H,7-13H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119834774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).