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

C21H26N2O3 — CID 120786406

IUPAC2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SMILESNC(C(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C21H26N2O3/c22-20(18-10-12-25-13-11-18)21(24)23-14-16-6-8-19(9-7-16)26-15-17-4-2-1-3-5-17/h1-9,18,20H,10-15,22H2,(H,23,24)
InChIKeyYZDLZYTZNWZUII-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.64
Rot. Bonds7

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

2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 120786406) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID120786406
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SMILESNC(C(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C21H26N2O3/c22-20(18-10-12-25-13-11-18)21(24)23-14-16-6-8-19(9-7-16)26-15-17-4-2-1-3-5-17/h1-9,18,20H,10-15,22H2,(H,23,24)
InChIKeyYZDLZYTZNWZUII-UHFFFAOYSA-N
XLogP2.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797875
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784359
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791700
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
CID 119712185
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789949
2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide
CID 120791880
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
CID 120793432
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide (CID 120786406) is 2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide is NC(C(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is YZDLZYTZNWZUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c22-20(18-10-12-25-13-11-18)21(24)23-14-16-6-8-19(9-7-16)26-15-17-4-2-1-3-5-17/h1-9,18,20H,10-15,22H2,(H,23,24).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 120786406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).