3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

C23H27NO3 — CID 132654747

IUPAC3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESC=C(C)COc1cccc(C(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c1
InChIInChI=1S/C23H27NO3/c1-15(2)14-26-18-8-6-7-17(12-18)22(25)24-20-13-23(4,5)27-21-11-16(3)9-10-19(20)21/h6-12,20H,1,13-14H2,2-5H3,(H,24,25)
InChIKeyWPYQIDFQKASAMZ-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.98
Rot. Bonds5

About 3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 132654747) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
PubChem CID132654747
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESC=C(C)COc1cccc(C(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c1
InChIInChI=1S/C23H27NO3/c1-15(2)14-26-18-8-6-7-17(12-18)22(25)24-20-13-23(4,5)27-21-11-16(3)9-10-19(20)21/h6-12,20H,1,13-14H2,2-5H3,(H,24,25)
InChIKeyWPYQIDFQKASAMZ-UHFFFAOYSA-N
XLogP4.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
2-(3,4-dimethylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653312
2-[3-(trifluoromethyl)phenoxy]-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100758401
5-methyl-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125439478
5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide
CID 122561508
2-(2-methoxyphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653577
4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 119165291
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370
N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17133060

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The IUPAC name of 3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 132654747) is 3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The canonical SMILES for 3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is C=C(C)COc1cccc(C(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c1.
What is the InChIKey of 3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The InChIKey is WPYQIDFQKASAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-15(2)14-26-18-8-6-7-17(12-18)22(25)24-20-13-23(4,5)27-21-11-16(3)9-10-19(20)21/h6-12,20H,1,13-14H2,2-5H3,(H,24,25).
What are the key properties of 3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide has a molecular weight of 365.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 132654747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).