N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide

C23H29NO5 — CID 132661085

IUPACN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NC1CC(C)(C)Oc2cc(OC)ccc21
InChIInChI=1S/C23H29NO5/c1-6-20(28-16-9-7-15(26-4)8-10-16)22(25)24-19-14-23(2,3)29-21-13-17(27-5)11-12-18(19)21/h7-13,19-20H,6,14H2,1-5H3,(H,24,25)
InChIKeyAGJLERFLNSOKEJ-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.28
Rot. Bonds7

About N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide (PubChem CID 132661085) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide
PubChem CID132661085
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NC1CC(C)(C)Oc2cc(OC)ccc21
InChIInChI=1S/C23H29NO5/c1-6-20(28-16-9-7-15(26-4)8-10-16)22(25)24-19-14-23(2,3)29-21-13-17(27-5)11-12-18(19)21/h7-13,19-20H,6,14H2,1-5H3,(H,24,25)
InChIKeyAGJLERFLNSOKEJ-UHFFFAOYSA-N
XLogP4.28
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-naphthalen-1-yloxybutanamide
CID 132666104
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-methylphenoxy)butanamide
CID 132657768
(2S)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 125054339
2-(2-ethylphenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132657740
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 133184646
2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132656164
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)-4-(4-methoxyphenoxy)butanamide
CID 132661086
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111
2-(4-bromophenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132666161

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide (CID 132661085) is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide is CCC(Oc1ccc(OC)cc1)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-(4-methoxyphenoxy)butanamide?
The InChIKey is AGJLERFLNSOKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-6-20(28-16-9-7-15(26-4)8-10-16)22(25)24-19-14-23(2,3)29-21-13-17(27-5)11-12-18(19)21/h7-13,19-20H,6,14H2,1-5H3,(H,24,25).
What are the key properties of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide?
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide has a molecular weight of 399.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 132661085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).