N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide

C23H29NO4 — CID 132657768

IUPACN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC1CC(C)(C)Oc2ccc(OC)cc21
InChIInChI=1S/C23H29NO4/c1-6-19(27-20-10-8-7-9-15(20)2)22(25)24-18-14-23(3,4)28-21-12-11-16(26-5)13-17(18)21/h7-13,18-19H,6,14H2,1-5H3,(H,24,25)
InChIKeyQTMHWJFNSRQEOD-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.58
Rot. Bonds6

About N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide (PubChem CID 132657768) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide
PubChem CID132657768
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC1CC(C)(C)Oc2ccc(OC)cc21
InChIInChI=1S/C23H29NO4/c1-6-19(27-20-10-8-7-9-15(20)2)22(25)24-18-14-23(3,4)28-21-12-11-16(26-5)13-17(18)21/h7-13,18-19H,6,14H2,1-5H3,(H,24,25)
InChIKeyQTMHWJFNSRQEOD-UHFFFAOYSA-N
XLogP4.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-1-yloxybutanamide
CID 132666104
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide
CID 132661085
(2S)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 125054339
2-(4-chlorophenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132662151
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
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
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide (CID 132657768) is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)NC1CC(C)(C)Oc2ccc(OC)cc21.
What is the InChIKey of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide?
The InChIKey is QTMHWJFNSRQEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-6-19(27-20-10-8-7-9-15(20)2)22(25)24-18-14-23(3,4)28-21-12-11-16(26-5)13-17(18)21/h7-13,18-19H,6,14H2,1-5H3,(H,24,25).
What are the key properties of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide?
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide has a molecular weight of 383.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 132657768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).