N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide

C22H27N5O3 — CID 139919354

IUPACN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nn(-c3ccccc3)nc2C)cc1OCCN(C)C
InChIInChI=1S/C22H27N5O3/c1-16-19(25-27(24-16)18-8-6-5-7-9-18)15-22(28)23-17-10-11-20(29-4)21(14-17)30-13-12-26(2)3/h5-11,14H,12-13,15H2,1-4H3,(H,23,28)
InChIKeyTWMQZWJZTOSIRF-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.71
Rot. Bonds9

About N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide

N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide (PubChem CID 139919354) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide
PubChem CID139919354
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nn(-c3ccccc3)nc2C)cc1OCCN(C)C
InChIInChI=1S/C22H27N5O3/c1-16-19(25-27(24-16)18-8-6-5-7-9-18)15-22(28)23-17-10-11-20(29-4)21(14-17)30-13-12-26(2)3/h5-11,14H,12-13,15H2,1-4H3,(H,23,28)
InChIKeyTWMQZWJZTOSIRF-UHFFFAOYSA-N
XLogP2.71
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 139912017
2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide
CID 139919396
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide
CID 139725586
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 47089567
2-(3-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyltriazole-4-carboxamide
CID 78892446
methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate
CID 18980122
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-hydroxynaphthalene-2-carboxamide
CID 166219863
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(furan-2-yl)acetamide
CID 139919411

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide (CID 139919354) is N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide is COc1ccc(NC(=O)Cc2nn(-c3ccccc3)nc2C)cc1OCCN(C)C.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide?
The InChIKey is TWMQZWJZTOSIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-16-19(25-27(24-16)18-8-6-5-7-9-18)15-22(28)23-17-10-11-20(29-4)21(14-17)30-13-12-26(2)3/h5-11,14H,12-13,15H2,1-4H3,(H,23,28).
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide?
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide is sourced from PubChem (CID 139919354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).