N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide

C23H30N2O2 — CID 91649679

IUPACN-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(CC(=O)NCC2(C)CN(Cc3ccccc3)C2)c1
InChIInChI=1S/C23H30N2O2/c1-18(2)27-21-11-7-10-20(12-21)13-22(26)24-15-23(3)16-25(17-23)14-19-8-5-4-6-9-19/h4-12,18H,13-17H2,1-3H3,(H,24,26)
InChIKeyONMPBFJYCUJNFC-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.65
Rot. Bonds8

About N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide

N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 91649679) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide
PubChem CID91649679
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(CC(=O)NCC2(C)CN(Cc3ccccc3)C2)c1
InChIInChI=1S/C23H30N2O2/c1-18(2)27-21-11-7-10-20(12-21)13-22(26)24-15-23(3)16-25(17-23)14-19-8-5-4-6-9-19/h4-12,18H,13-17H2,1-3H3,(H,24,26)
InChIKeyONMPBFJYCUJNFC-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119234678
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
N-(2-amino-2-methylpropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119626689
3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320746
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide
CID 172888624
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119363288
2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224414
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide (CID 91649679) is N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide is CC(C)Oc1cccc(CC(=O)NCC2(C)CN(Cc3ccccc3)C2)c1.
What is the InChIKey of N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is ONMPBFJYCUJNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(2)27-21-11-7-10-20(12-21)13-22(26)24-15-23(3)16-25(17-23)14-19-8-5-4-6-9-19/h4-12,18H,13-17H2,1-3H3,(H,24,26).
What are the key properties of N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide?
N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 91649679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).