N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide

C24H29NO3 — CID 133166404

IUPACN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H29NO3/c1-23(2)16-20(19-12-11-18(27-3)15-21(19)28-23)25-22(26)24(13-7-8-14-24)17-9-5-4-6-10-17/h4-6,9-12,15,20H,7-8,13-14,16H2,1-3H3,(H,25,26)
InChIKeyYMZFVXISVMTHID-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.93
Rot. Bonds4

About N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 133166404) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide
PubChem CID133166404
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H29NO3/c1-23(2)16-20(19-12-11-18(27-3)15-21(19)28-23)25-22(26)24(13-7-8-14-24)17-9-5-4-6-10-17/h4-6,9-12,15,20H,7-8,13-14,16H2,1-3H3,(H,25,26)
InChIKeyYMZFVXISVMTHID-UHFFFAOYSA-N
XLogP4.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100545801
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(4-methoxyphenoxy)butanamide
CID 132661086
2-(4-bromophenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132666161
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94013924
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide
CID 132661085
3-(2,6-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100603694
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide
CID 91789923
4-(azepan-1-ylmethyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 94013930

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide (CID 133166404) is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide is COc1ccc2c(c1)OC(C)(C)CC2NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is YMZFVXISVMTHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-23(2)16-20(19-12-11-18(27-3)15-21(19)28-23)25-22(26)24(13-7-8-14-24)17-9-5-4-6-10-17/h4-6,9-12,15,20H,7-8,13-14,16H2,1-3H3,(H,25,26).
What are the key properties of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide?
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 133166404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).