N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide

C22H25N3O3 — CID 87018083

IUPACN-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1cccc(C#N)c1)CC1CCCO1
InChIInChI=1S/C22H25N3O3/c1-27-21-10-3-2-7-18(21)14-25(15-20-9-5-11-28-20)16-22(26)24-19-8-4-6-17(12-19)13-23/h2-4,6-8,10,12,20H,5,9,11,14-16H2,1H3,(H,24,26)
InChIKeyQKIDJKFURFAJNI-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.19
Rot. Bonds8

About N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide

N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 87018083) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
PubChem CID87018083
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1cccc(C#N)c1)CC1CCCO1
InChIInChI=1S/C22H25N3O3/c1-27-21-10-3-2-7-18(21)14-25(15-20-9-5-11-28-20)16-22(26)24-19-8-4-6-17(12-19)13-23/h2-4,6-8,10,12,20H,5,9,11,14-16H2,1H3,(H,24,26)
InChIKeyQKIDJKFURFAJNI-UHFFFAOYSA-N
XLogP3.19
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 78899690
N-(3-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055119
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60501069
3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea
CID 47049656
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone
CID 60500781
N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide
CID 51497374
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide
CID 55840577
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
1-[(2-methoxyphenyl)methyl]-3-(3-nitrophenyl)-1-(oxolan-2-ylmethyl)urea
CID 60501793
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide (CID 87018083) is N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide is COc1ccccc1CN(CC(=O)Nc1cccc(C#N)c1)CC1CCCO1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is QKIDJKFURFAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-21-10-3-2-7-18(21)14-25(15-20-9-5-11-28-20)16-22(26)24-19-8-4-6-17(12-19)13-23/h2-4,6-8,10,12,20H,5,9,11,14-16H2,1H3,(H,24,26).
What are the key properties of N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 87018083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).