N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C21H24N6O2 — CID 55601396

IUPACN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H24N6O2/c1-25(15-18-4-6-19(7-5-18)26-10-12-29-13-11-26)21(28)14-17-2-8-20(9-3-17)27-16-22-23-24-27/h2-9,16H,10-15H2,1H3
InChIKeyLDFGIZSRXCCXLP-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.70
Rot. Bonds6

About N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55601396) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55601396
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H24N6O2/c1-25(15-18-4-6-19(7-5-18)26-10-12-29-13-11-26)21(28)14-17-2-8-20(9-3-17)27-16-22-23-24-27/h2-9,16H,10-15H2,1H3
InChIKeyLDFGIZSRXCCXLP-UHFFFAOYSA-N
XLogP1.70
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 86980548
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036565
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91957416
2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 26036986
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 26972821
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601526
N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 52763841
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134013147
2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 119198737
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55601396) is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is LDFGIZSRXCCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-25(15-18-4-6-19(7-5-18)26-10-12-29-13-11-26)21(28)14-17-2-8-20(9-3-17)27-16-22-23-24-27/h2-9,16H,10-15H2,1H3.
What are the key properties of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55601396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).