2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide

C23H29NO3 — CID 132655018

IUPAC2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC1CC(C)(C)Oc2cc(C)ccc21
InChIInChI=1S/C23H29NO3/c1-6-19(26-20-10-8-7-9-16(20)3)22(25)24-18-14-23(4,5)27-21-13-15(2)11-12-17(18)21/h7-13,18-19H,6,14H2,1-5H3,(H,24,25)
InChIKeyHTIUVXHQPBAHDV-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.88
Rot. Bonds5

About 2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide

2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide (PubChem CID 132655018) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
PubChem CID132655018
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC1CC(C)(C)Oc2cc(C)ccc21
InChIInChI=1S/C23H29NO3/c1-6-19(26-20-10-8-7-9-16(20)3)22(25)24-18-14-23(4,5)27-21-13-15(2)11-12-17(18)21/h7-13,18-19H,6,14H2,1-5H3,(H,24,25)
InChIKeyHTIUVXHQPBAHDV-UHFFFAOYSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide
CID 132657768
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)-2-naphthalen-1-yloxybutanamide
CID 132666104
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide
CID 132661085
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-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132656164
(2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100575737
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651952
2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 99993350
2-(2-methoxyphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653577

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide (CID 132655018) is 2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide is CCC(Oc1ccccc1C)C(=O)NC1CC(C)(C)Oc2cc(C)ccc21.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide?
The InChIKey is HTIUVXHQPBAHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-6-19(26-20-10-8-7-9-16(20)3)22(25)24-18-14-23(4,5)27-21-13-15(2)11-12-17(18)21/h7-13,18-19H,6,14H2,1-5H3,(H,24,25).
What are the key properties of 2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide?
2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide has a molecular weight of 367.49 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide is sourced from PubChem (CID 132655018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).