N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide

C20H31NO3 — CID 2877768

IUPACN-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)N(CCC1CCOC(C)(C)C1)Cc1ccc(OC)cc1
InChIInChI=1S/C20H31NO3/c1-5-19(22)21(15-17-6-8-18(23-4)9-7-17)12-10-16-11-13-24-20(2,3)14-16/h6-9,16H,5,10-15H2,1-4H3
InChIKeyRORFEHRCSGKUHD-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.03
Rot. Bonds7

About N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide

N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 2877768) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID2877768
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)N(CCC1CCOC(C)(C)C1)Cc1ccc(OC)cc1
InChIInChI=1S/C20H31NO3/c1-5-19(22)21(15-17-6-8-18(23-4)9-7-17)12-10-16-11-13-24-20(2,3)14-16/h6-9,16H,5,10-15H2,1-4H3
InChIKeyRORFEHRCSGKUHD-UHFFFAOYSA-N
XLogP4.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 7664418
2-(2,2-dimethyloxan-4-yl)ethyl-[(4-methoxyphenyl)methyl]azanium
CID 4265463
2-[(2,2-dimethyloxan-4-yl)methylamino]-1-(4-methoxyphenyl)ethanone
CID 13438549
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]acetamide
CID 1147460
N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1119799
N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine
CID 3129817
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
CID 168975874
N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4R,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide
CID 11899524
N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide
CID 7358418
N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 52572788
(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 7076934
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide
CID 7079370

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 2877768) is N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide is CCC(=O)N(CCC1CCOC(C)(C)C1)Cc1ccc(OC)cc1.
What is the InChIKey of N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is RORFEHRCSGKUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-5-19(22)21(15-17-6-8-18(23-4)9-7-17)12-10-16-11-13-24-20(2,3)14-16/h6-9,16H,5,10-15H2,1-4H3.
What are the key properties of N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide?
N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 333.47 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 2877768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).