N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide

C21H30N2O4 — CID 131904157

IUPACN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide
SMILESCOc1ccc2c(c1)C(NC(=O)CCN1CCCCCC1=O)CC(C)(C)O2
InChIInChI=1S/C21H30N2O4/c1-21(2)14-17(16-13-15(26-3)8-9-18(16)27-21)22-19(24)10-12-23-11-6-4-5-7-20(23)25/h8-9,13,17H,4-7,10-12,14H2,1-3H3,(H,22,24)
InChIKeySSQODTMGICGBGP-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.21
Rot. Bonds5

About N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 131904157) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide
PubChem CID131904157
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide
SMILESCOc1ccc2c(c1)C(NC(=O)CCN1CCCCCC1=O)CC(C)(C)O2
InChIInChI=1S/C21H30N2O4/c1-21(2)14-17(16-13-15(26-3)8-9-18(16)27-21)22-19(24)10-12-23-11-6-4-5-7-20(23)25/h8-9,13,17H,4-7,10-12,14H2,1-3H3,(H,22,24)
InChIKeySSQODTMGICGBGP-UHFFFAOYSA-N
XLogP3.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100610173
2-(3-bromophenyl)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701277
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenylsulfanylacetamide
CID 132653944
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133228268
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 118780187
2-benzylsulfanyl-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132655804
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125179947
2-[(2-chlorophenyl)methylsulfanyl]-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132662640
N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 25366356
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)-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide (CID 131904157) is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide is COc1ccc2c(c1)C(NC(=O)CCN1CCCCCC1=O)CC(C)(C)O2.
What is the InChIKey of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is SSQODTMGICGBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-21(2)14-17(16-13-15(26-3)8-9-18(16)27-21)22-19(24)10-12-23-11-6-4-5-7-20(23)25/h8-9,13,17H,4-7,10-12,14H2,1-3H3,(H,22,24).
What are the key properties of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide?
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 374.48 g/mol, XLogP of 3.21, 5 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)-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 131904157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).