2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide

C20H31N3O4 — CID 120799134

IUPAC2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CCOCC1
InChIInChI=1S/C20H31N3O4/c21-19(17-4-9-25-10-5-17)20(24)22-15-16-2-1-3-18(14-16)27-13-8-23-6-11-26-12-7-23/h1-3,14,17,19H,4-13,15,21H2,(H,22,24)
InChIKeyYFRAGYVCYHDNLF-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.77
Rot. Bonds8

About 2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120799134) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120799134
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CCOCC1
InChIInChI=1S/C20H31N3O4/c21-19(17-4-9-25-10-5-17)20(24)22-15-16-2-1-3-18(14-16)27-13-8-23-6-11-26-12-7-23/h1-3,14,17,19H,4-13,15,21H2,(H,22,24)
InChIKeyYFRAGYVCYHDNLF-UHFFFAOYSA-N
XLogP0.77
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791700
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789949
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
CID 120793432
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626689
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 120799134) is 2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is YFRAGYVCYHDNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c21-19(17-4-9-25-10-5-17)20(24)22-15-16-2-1-3-18(14-16)27-13-8-23-6-11-26-12-7-23/h1-3,14,17,19H,4-13,15,21H2,(H,22,24).
What are the key properties of 2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120799134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).