N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide

C27H38N2O2 — CID 7358418

IUPACN-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide
SMILESCCC(=O)N(CC[C@]1(c2ccccc2)C[C@@H](C)N(C)C[C@H]1C)Cc1ccc(OC)cc1
InChIInChI=1S/C27H38N2O2/c1-6-26(30)29(20-23-12-14-25(31-5)15-13-23)17-16-27(24-10-8-7-9-11-24)18-22(3)28(4)19-21(27)2/h7-15,21-22H,6,16-20H2,1-5H3/t21-,22-,27+/m1/s1
InChIKeyFWOQAZJKWCARFG-LOYIFYEOSA-N
MW422.61 g/mol
LogP5.12
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide

N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide (PubChem CID 7358418) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide
PubChem CID7358418
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide
SMILESCCC(=O)N(CC[C@]1(c2ccccc2)C[C@@H](C)N(C)C[C@H]1C)Cc1ccc(OC)cc1
InChIInChI=1S/C27H38N2O2/c1-6-26(30)29(20-23-12-14-25(31-5)15-13-23)17-16-27(24-10-8-7-9-11-24)18-22(3)28(4)19-21(27)2/h7-15,21-22H,6,16-20H2,1-5H3/t21-,22-,27+/m1/s1
InChIKeyFWOQAZJKWCARFG-LOYIFYEOSA-N
XLogP5.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4R,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide
CID 11899524
1-(4-methoxyphenyl)-N-[2-[(2S,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine
CID 7358347
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
CID 3489229
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 7664418
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 2877768
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
CID 168975874
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
N,N-dibenzyl-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086505
N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135429069
N-benzyl-N-(2-chloroethyl)propanamide
CID 63390961

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide (CID 7358418) is N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide is CCC(=O)N(CC[C@]1(c2ccccc2)C[C@@H](C)N(C)C[C@H]1C)Cc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide?
The InChIKey is FWOQAZJKWCARFG-LOYIFYEOSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-6-26(30)29(20-23-12-14-25(31-5)15-13-23)17-16-27(24-10-8-7-9-11-24)18-22(3)28(4)19-21(27)2/h7-15,21-22H,6,16-20H2,1-5H3/t21-,22-,27+/m1/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide?
N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide has a molecular weight of 422.61 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide is sourced from PubChem (CID 7358418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).