N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide

C32H55NO3 — CID 10128316

IUPACN,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide
SMILESCc1c(OCC(=O)N(C)C)cc2c(c1C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2
InChIInChI=1S/C32H55NO3/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-19-32(7)20-18-28-21-29(35-22-30(34)33(8)9)26(5)27(6)31(28)36-32/h21,23-25H,10-20,22H2,1-9H3
InChIKeyNKTUXIOZGGCALO-UHFFFAOYSA-N
MW501.80 g/mol
LogP8.29
Rot. Bonds15

About N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide

N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide (PubChem CID 10128316) has the molecular formula C32H55NO3 and a molecular weight of 501.80 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide
PubChem CID10128316
Molecular FormulaC32H55NO3
Molecular Weight501.80 g/mol
Exact Mass501.42
IUPAC NameN,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide
SMILESCc1c(OCC(=O)N(C)C)cc2c(c1C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2
InChIInChI=1S/C32H55NO3/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-19-32(7)20-18-28-21-29(35-22-30(34)33(8)9)26(5)27(6)31(28)36-32/h21,23-25H,10-20,22H2,1-9H3
InChIKeyNKTUXIOZGGCALO-UHFFFAOYSA-N
XLogP8.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.80
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide with MolForge

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Related Compounds

[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-(dimethylamino)acetate
CID 11605771
(2R)-2,7,8-trimethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 53393643
4-O-[1-(1-hydroxypropan-2-yloxy)propan-2-yl] 1-O-[(2R)-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioate;methane
CID 159379343
[2,7,8-trimethyl-2-(13,13,13-trifluoro-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
CID 10006637
ethane;prop-1-ene;2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 155713412
[(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate
CID 7059472
[2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] dihydrogen phosphate
CID 11600375
(2R)-2,5,7,8-tetramethyl-6-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
CID 11992150
2-[carboxymethyl-[2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]ethyl]amino]acetic acid
CID 140718102
methyl 4-[[(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxymethyl]benzoate
CID 46830102
(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
CID 146823201
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate
CID 91392163

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide (CID 10128316) is N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide is Cc1c(OCC(=O)N(C)C)cc2c(c1C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2.
What is the InChIKey of N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide?
The InChIKey is NKTUXIOZGGCALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H55NO3/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-19-32(7)20-18-28-21-29(35-22-30(34)33(8)9)26(5)27(6)31(28)36-32/h21,23-25H,10-20,22H2,1-9H3.
What are the key properties of N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide?
N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide has a molecular weight of 501.80 g/mol, XLogP of 8.29, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetamide is sourced from PubChem (CID 10128316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).