N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide

C21H24N6O3 — CID 25495794

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)N2CCOCC2)cc1
InChIInChI=1S/C21H24N6O3/c1-29-19-7-5-16(6-8-19)20(26-9-11-30-12-10-26)14-22-21(28)17-3-2-4-18(13-17)27-15-23-24-25-27/h2-8,13,15,20H,9-12,14H2,1H3,(H,22,28)/t20-/m1/s1
InChIKeyDUZCHTSDIXGGFJ-HXUWFJFHSA-N
MW408.46 g/mol
LogP1.47
Rot. Bonds7

About N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 25495794) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID25495794
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)N2CCOCC2)cc1
InChIInChI=1S/C21H24N6O3/c1-29-19-7-5-16(6-8-19)20(26-9-11-30-12-10-26)14-22-21(28)17-3-2-4-18(13-17)27-15-23-24-25-27/h2-8,13,15,20H,9-12,14H2,1H3,(H,22,28)/t20-/m1/s1
InChIKeyDUZCHTSDIXGGFJ-HXUWFJFHSA-N
XLogP1.47
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
CID 30530459
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472228
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472231
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrol-1-ylbenzamide
CID 25340437
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55754690

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide (CID 25495794) is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide is COc1ccc([C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is DUZCHTSDIXGGFJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-29-19-7-5-16(6-8-19)20(26-9-11-30-12-10-26)14-22-21(28)17-3-2-4-18(13-17)27-15-23-24-25-27/h2-8,13,15,20H,9-12,14H2,1H3,(H,22,28)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide?
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 408.46 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 25495794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).