N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide

C26H29NO4 — CID 132666104

IUPACN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NC1CC(C)(C)Oc2cc(OC)ccc21
InChIInChI=1S/C26H29NO4/c1-5-22(30-23-12-8-10-17-9-6-7-11-19(17)23)25(28)27-21-16-26(2,3)31-24-15-18(29-4)13-14-20(21)24/h6-15,21-22H,5,16H2,1-4H3,(H,27,28)
InChIKeyPHTOCBGGMRNMRT-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.42
Rot. Bonds6

About N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide (PubChem CID 132666104) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide
PubChem CID132666104
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NC1CC(C)(C)Oc2cc(OC)ccc21
InChIInChI=1S/C26H29NO4/c1-5-22(30-23-12-8-10-17-9-6-7-11-19(17)23)25(28)27-21-16-26(2,3)31-24-15-18(29-4)13-14-20(21)24/h6-15,21-22H,5,16H2,1-4H3,(H,27,28)
InChIKeyPHTOCBGGMRNMRT-UHFFFAOYSA-N
XLogP5.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide
CID 132661085
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide
CID 132657768
2-(4-chlorophenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132662151
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methoxyphenoxy)butanamide
CID 132661080
2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132655018
2-(2-ethylphenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132657740
2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132656164
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
(2S)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 125054339
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 133184646
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(4-methoxyphenoxy)butanamide
CID 132661086

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide?
The IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide (CID 132666104) is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide is CCC(Oc1cccc2ccccc12)C(=O)NC1CC(C)(C)Oc2cc(OC)ccc21.
What is the InChIKey of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide?
The InChIKey is PHTOCBGGMRNMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-5-22(30-23-12-8-10-17-9-6-7-11-19(17)23)25(28)27-21-16-26(2,3)31-24-15-18(29-4)13-14-20(21)24/h6-15,21-22H,5,16H2,1-4H3,(H,27,28).
What are the key properties of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide?
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide has a molecular weight of 419.52 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 132666104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).