2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide

C19H29N3O3 — CID 120801276

IUPAC2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESCc1ccc(CNC(=O)C(N)C2CCOCC2)c(N2CCOCC2)c1
InChIInChI=1S/C19H29N3O3/c1-14-2-3-16(17(12-14)22-6-10-25-11-7-22)13-21-19(23)18(20)15-4-8-24-9-5-15/h2-3,12,15,18H,4-11,13,20H2,1H3,(H,21,23)
InChIKeySBSBSDXXXWNZBJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.20
Rot. Bonds5

About 2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120801276) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
PubChem CID120801276
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESCc1ccc(CNC(=O)C(N)C2CCOCC2)c(N2CCOCC2)c1
InChIInChI=1S/C19H29N3O3/c1-14-2-3-16(17(12-14)22-6-10-25-11-7-22)13-21-19(23)18(20)15-4-8-24-9-5-15/h2-3,12,15,18H,4-11,13,20H2,1H3,(H,21,23)
InChIKeySBSBSDXXXWNZBJ-UHFFFAOYSA-N
XLogP1.20
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120801004
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795648
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795659
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795647
(2S,5R)-5-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120801274
4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120942564
N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine
CID 117111098
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795652
2-amino-N-[[2-(4-methylphenoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120792516
2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783069
2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120801606

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide (CID 120801276) is 2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide is Cc1ccc(CNC(=O)C(N)C2CCOCC2)c(N2CCOCC2)c1.
What is the InChIKey of 2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is SBSBSDXXXWNZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-2-3-16(17(12-14)22-6-10-25-11-7-22)13-21-19(23)18(20)15-4-8-24-9-5-15/h2-3,12,15,18H,4-11,13,20H2,1H3,(H,21,23).
What are the key properties of 2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120801276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).