N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide

C22H27NO3 — CID 135313669

IUPACN-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide
SMILESCOc1ccc(CC2(NC=O)CC(C)(C)C2)cc1OCc1ccccc1
InChIInChI=1S/C22H27NO3/c1-21(2)14-22(15-21,23-16-24)12-18-9-10-19(25-3)20(11-18)26-13-17-7-5-4-6-8-17/h4-11,16H,12-15H2,1-3H3,(H,23,24)
InChIKeyYRGYLZYHVSLSGI-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.12
Rot. Bonds8

About N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide

N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide (PubChem CID 135313669) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide.

Molecular Properties

Compound NameN-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide
PubChem CID135313669
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide
SMILESCOc1ccc(CC2(NC=O)CC(C)(C)C2)cc1OCc1ccccc1
InChIInChI=1S/C22H27NO3/c1-21(2)14-22(15-21,23-16-24)12-18-9-10-19(25-3)20(11-18)26-13-17-7-5-4-6-8-17/h4-11,16H,12-15H2,1-3H3,(H,23,24)
InChIKeyYRGYLZYHVSLSGI-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
N-[2-[3-methoxy-4,5-bis(phenylmethoxy)phenyl]ethyl]-2-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 45047916
1-diazo-4-(4-methoxy-3-phenylmethoxyphenyl)butan-2-one
CID 71376113
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide?
The IUPAC name of N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide (CID 135313669) is N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide.
What is the SMILES notation for N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide?
The canonical SMILES for N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide is COc1ccc(CC2(NC=O)CC(C)(C)C2)cc1OCc1ccccc1.
What is the InChIKey of N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide?
The InChIKey is YRGYLZYHVSLSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-21(2)14-22(15-21,23-16-24)12-18-9-10-19(25-3)20(11-18)26-13-17-7-5-4-6-8-17/h4-11,16H,12-15H2,1-3H3,(H,23,24).
What are the key properties of N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide?
N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide has a molecular weight of 353.46 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide is sourced from PubChem (CID 135313669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).