(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide

C23H21N5O3 — CID 40811476

IUPAC(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide
SMILESCOc1cccc(-c2nnn([C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C23H21N5O3/c1-16(28-26-22(25-27-28)17-7-6-10-21(15-17)30-2)23(29)24-18-11-13-20(14-12-18)31-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,24,29)/t16-/m1/s1
InChIKeyAFTYFOBLDITWJM-MRXNPFEDSA-N
MW415.45 g/mol
LogP4.34
Rot. Bonds7

About (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide

(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide (PubChem CID 40811476) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide
PubChem CID40811476
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide
SMILESCOc1cccc(-c2nnn([C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C23H21N5O3/c1-16(28-26-22(25-27-28)17-7-6-10-21(15-17)30-2)23(29)24-18-11-13-20(14-12-18)31-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,24,29)/t16-/m1/s1
InChIKeyAFTYFOBLDITWJM-MRXNPFEDSA-N
XLogP4.34
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
CID 9355609
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 43024295
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560248
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid
CID 118588187
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
CID 43024305
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 8023934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide (CID 40811476) is (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide is COc1cccc(-c2nnn([C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)n2)c1.
What is the InChIKey of (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide?
The InChIKey is AFTYFOBLDITWJM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-16(28-26-22(25-27-28)17-7-6-10-21(15-17)30-2)23(29)24-18-11-13-20(14-12-18)31-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,24,29)/t16-/m1/s1.
What are the key properties of (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide?
(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide has a molecular weight of 415.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 40811476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).