N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide

C22H31N3O2 — CID 23733509

IUPACN-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(CN(Cc2ccc(NC(C)=O)cc2)CC(C)(C)CN)cc1
InChIInChI=1S/C22H31N3O2/c1-17(26)24-20-9-5-18(6-10-20)13-25(16-22(2,3)15-23)14-19-7-11-21(27-4)12-8-19/h5-12H,13-16,23H2,1-4H3,(H,24,26)
InChIKeyTULSHSZSTQFXPH-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.64
Rot. Bonds9

About N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide

N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide (PubChem CID 23733509) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
PubChem CID23733509
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(CN(Cc2ccc(NC(C)=O)cc2)CC(C)(C)CN)cc1
InChIInChI=1S/C22H31N3O2/c1-17(26)24-20-9-5-18(6-10-20)13-25(16-22(2,3)15-23)14-19-7-11-21(27-4)12-8-19/h5-12H,13-16,23H2,1-4H3,(H,24,26)
InChIKeyTULSHSZSTQFXPH-UHFFFAOYSA-N
XLogP3.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide
CID 23848174
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 79667818
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide (CID 23733509) is N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide is COc1ccc(CN(Cc2ccc(NC(C)=O)cc2)CC(C)(C)CN)cc1.
What is the InChIKey of N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide?
The InChIKey is TULSHSZSTQFXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17(26)24-20-9-5-18(6-10-20)13-25(16-22(2,3)15-23)14-19-7-11-21(27-4)12-8-19/h5-12H,13-16,23H2,1-4H3,(H,24,26).
What are the key properties of N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide?
N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide has a molecular weight of 369.51 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 23733509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).