N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide

C21H26N2O3 — CID 119691200

IUPACN-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-19-11-9-18(10-12-19)23(16-17-6-3-2-4-7-17)21(24)15-22-14-20-8-5-13-26-20/h2-4,6-7,9-12,20,22H,5,8,13-16H2,1H3
InChIKeyKAIRWQVJPDXSNU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.00
Rot. Bonds8

About N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide

N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 119691200) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID119691200
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-19-11-9-18(10-12-19)23(16-17-6-3-2-4-7-17)21(24)15-22-14-20-8-5-13-26-20/h2-4,6-7,9-12,20,22H,5,8,13-16H2,1H3
InChIKeyKAIRWQVJPDXSNU-UHFFFAOYSA-N
XLogP3.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681545
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 42852868
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-phenylacetamide
CID 110753031
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 133213635
N-benzyl-N-(4-methoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119691210
N-benzyl-2-[[(2R)-oxolan-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 7264489
(2R)-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 125046673
N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000338
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
(2S)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 125046171
N-[2-[(4-methoxyphenyl)methyl-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315637
N-methyl-N-[(2-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681688

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 119691200) is N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide is COc1ccc(N(Cc2ccccc2)C(=O)CNCC2CCCO2)cc1.
What is the InChIKey of N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is KAIRWQVJPDXSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-11-9-18(10-12-19)23(16-17-6-3-2-4-7-17)21(24)15-22-14-20-8-5-13-26-20/h2-4,6-7,9-12,20,22H,5,8,13-16H2,1H3.
What are the key properties of N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 119691200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).