3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide

C18H29N3O3 — CID 120503385

IUPAC3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
SMILESCC(N)C(C)C(=O)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C18H29N3O3/c1-14(15(2)19)18(22)20-13-16-4-3-5-17(12-16)24-11-8-21-6-9-23-10-7-21/h3-5,12,14-15H,6-11,13,19H2,1-2H3,(H,20,22)
InChIKeyOHLWIRDMBLTSBN-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.00
Rot. Bonds8

About 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide

3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide (PubChem CID 120503385) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
PubChem CID120503385
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
SMILESCC(N)C(C)C(=O)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C18H29N3O3/c1-14(15(2)19)18(22)20-13-16-4-3-5-17(12-16)24-11-8-21-6-9-23-10-7-21/h3-5,12,14-15H,6-11,13,19H2,1-2H3,(H,20,22)
InChIKeyOHLWIRDMBLTSBN-UHFFFAOYSA-N
XLogP1.00
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626689
2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
1-(4-bromo-2-methylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60589914
1,2-dimethyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918710
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513467

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide (CID 120503385) is 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide is CC(N)C(C)C(=O)NCc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide?
The InChIKey is OHLWIRDMBLTSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(15(2)19)18(22)20-13-16-4-3-5-17(12-16)24-11-8-21-6-9-23-10-7-21/h3-5,12,14-15H,6-11,13,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide?
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide has a molecular weight of 335.45 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 120503385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).