2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide

C20H21N5O3 — CID 21311278

IUPAC2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(-n2cnnn2)cc1C(=O)N(C)C[C@@H](CC=O)c1ccccc1
InChIInChI=1S/C20H21N5O3/c1-24(13-16(10-11-26)15-6-4-3-5-7-15)20(27)18-12-17(8-9-19(18)28-2)25-14-21-22-23-25/h3-9,11-12,14,16H,10,13H2,1-2H3/t16-/m1/s1
InChIKeyCDPYSRCWXDFHBW-MRXNPFEDSA-N
MW379.42 g/mol
LogP2.12
Rot. Bonds8

About 2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide

2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide (PubChem CID 21311278) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide
PubChem CID21311278
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(-n2cnnn2)cc1C(=O)N(C)C[C@@H](CC=O)c1ccccc1
InChIInChI=1S/C20H21N5O3/c1-24(13-16(10-11-26)15-6-4-3-5-7-15)20(27)18-12-17(8-9-19(18)28-2)25-14-21-22-23-25/h3-9,11-12,14,16H,10,13H2,1-2H3/t16-/m1/s1
InChIKeyCDPYSRCWXDFHBW-MRXNPFEDSA-N
XLogP2.12
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide
CID 18354454
2-methoxy-N-methyl-N-(4-oxo-2-phenylbutyl)-5-[(4S)-4H-triazol-4-yl]benzamide
CID 86754360
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[4-(2,2-dihydroxyethyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]butyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide
CID 59973384
N-[4-[4-(1-but-2-enylbenzimidazol-2-yl)-1,4-diazepan-1-yl]-2-(3,4-dichlorophenyl)butyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide
CID 54372080
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125
N-[2-(3,4-dichlorophenyl)-4-[4-(4-ethylpiperazine-1-carbonyl)-4-pyridin-3-ylpiperidin-1-yl]butyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide
CID 20703639
N-[2-(4-fluorophenyl)-4-methylsulfonylbutyl]-2-methoxy-5-(tetrazol-1-yl)benzamide
CID 67588701
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(tetrazol-1-yl)benzoate
CID 2665146
N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 25327818
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75519212
3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid
CID 120524969

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide (CID 21311278) is 2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide is COc1ccc(-n2cnnn2)cc1C(=O)N(C)C[C@@H](CC=O)c1ccccc1.
What is the InChIKey of 2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide?
The InChIKey is CDPYSRCWXDFHBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-24(13-16(10-11-26)15-6-4-3-5-7-15)20(27)18-12-17(8-9-19(18)28-2)25-14-21-22-23-25/h3-9,11-12,14,16H,10,13H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide?
2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 21311278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).