2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide

C24H32N2O3 — CID 120791880

IUPAC2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide
SMILESCc1ccc(COc2ccc(CC(C)NC(=O)C(N)C3CCOCC3)cc2)cc1
InChIInChI=1S/C24H32N2O3/c1-17-3-5-20(6-4-17)16-29-22-9-7-19(8-10-22)15-18(2)26-24(27)23(25)21-11-13-28-14-12-21/h3-10,18,21,23H,11-16,25H2,1-2H3,(H,26,27)
InChIKeyPLRBSYHHXPSWDI-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.38
Rot. Bonds8

About 2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide

2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide (PubChem CID 120791880) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide
PubChem CID120791880
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide
SMILESCc1ccc(COc2ccc(CC(C)NC(=O)C(N)C3CCOCC3)cc2)cc1
InChIInChI=1S/C24H32N2O3/c1-17-3-5-20(6-4-17)16-29-22-9-7-19(8-10-22)15-18(2)26-24(27)23(25)21-11-13-28-14-12-21/h3-10,18,21,23H,11-16,25H2,1-2H3,(H,26,27)
InChIKeyPLRBSYHHXPSWDI-UHFFFAOYSA-N
XLogP3.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide
CID 119771338
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793315
2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]acetamide;hydrochloride
CID 119316433
2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
CID 120782923
2-amino-2-(oxan-4-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 120791380
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120795542
2-amino-N-[[2-(4-methylphenoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120792516
2-amino-N-[4-(4-ethoxyphenoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120783556
2-amino-2-(oxan-4-yl)-N-(1-phenylpentan-2-yl)acetamide;hydrochloride
CID 120791991
2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797875

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide (CID 120791880) is 2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide is Cc1ccc(COc2ccc(CC(C)NC(=O)C(N)C3CCOCC3)cc2)cc1.
What is the InChIKey of 2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is PLRBSYHHXPSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17-3-5-20(6-4-17)16-29-22-9-7-19(8-10-22)15-18(2)26-24(27)23(25)21-11-13-28-14-12-21/h3-10,18,21,23H,11-16,25H2,1-2H3,(H,26,27).
What are the key properties of 2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide?
2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 396.53 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120791880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).