2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide

C21H24ClNO3 — CID 132656164

IUPAC2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C21H24ClNO3/c1-4-18(25-15-9-7-8-14(22)12-15)20(24)23-17-13-21(2,3)26-19-11-6-5-10-16(17)19/h5-12,17-18H,4,13H2,1-3H3,(H,23,24)
InChIKeyMWUNGIBOJFYVHL-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.92
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide

2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide (PubChem CID 132656164) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
PubChem CID132656164
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C21H24ClNO3/c1-4-18(25-15-9-7-8-14(22)12-15)20(24)23-17-13-21(2,3)26-19-11-6-5-10-16(17)19/h5-12,17-18H,4,13H2,1-3H3,(H,23,24)
InChIKeyMWUNGIBOJFYVHL-UHFFFAOYSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide
CID 132661085
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
CID 100708242
2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132655018
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide
CID 132651020
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
(2S)-2-(4-tert-butylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]butanamide
CID 100770619
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-ethylphenoxy)propanamide
CID 132653341
(2S)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 125054339

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide (CID 132656164) is 2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide?
The InChIKey is MWUNGIBOJFYVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-4-18(25-15-9-7-8-14(22)12-15)20(24)23-17-13-21(2,3)26-19-11-6-5-10-16(17)19/h5-12,17-18H,4,13H2,1-3H3,(H,23,24).
What are the key properties of 2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide?
2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide has a molecular weight of 373.88 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide is sourced from PubChem (CID 132656164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).