N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide

C28H34N2O2 — CID 10598749

IUPACN-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CCOC(c1ccccc1)c1ccccc1)CCN(C)C(=O)CCc1ccccc1
InChIInChI=1S/C28H34N2O2/c1-29(20-21-30(2)27(31)19-18-24-12-6-3-7-13-24)22-23-32-28(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,28H,18-23H2,1-2H3
InChIKeyWFDZBHGHZASRRN-UHFFFAOYSA-N
MW430.59 g/mol
LogP4.82
Rot. Bonds12

About N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide

N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide (PubChem CID 10598749) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide
PubChem CID10598749
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC NameN-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CCOC(c1ccccc1)c1ccccc1)CCN(C)C(=O)CCc1ccccc1
InChIInChI=1S/C28H34N2O2/c1-29(20-21-30(2)27(31)19-18-24-12-6-3-7-13-24)22-23-32-28(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,28H,18-23H2,1-2H3
InChIKeyWFDZBHGHZASRRN-UHFFFAOYSA-N
XLogP4.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzhydryloxy-N-(2-chloroethyl)-N-methylethanamine;2-[2-benzhydryloxyethyl(methyl)amino]ethanol
CID 158709757
N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 14645114
N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide
CID 75501883
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
N-(2-bromopropyl)-N-methyl-3-phenylpropanamide
CID 80666025
3-[4-[[methyl(3-phenylpropanoyl)amino]methyl]phenyl]-2-phenylpropanoic acid
CID 23176557
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60501602
N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide (CID 10598749) is N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide is CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)C(=O)CCc1ccccc1.
What is the InChIKey of N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is WFDZBHGHZASRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-29(20-21-30(2)27(31)19-18-24-12-6-3-7-13-24)22-23-32-28(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,28H,18-23H2,1-2H3.
What are the key properties of N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide?
N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 430.59 g/mol, XLogP of 4.82, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 10598749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).