4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide

C19H22N6O2 — CID 52503296

IUPAC4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide
SMILESCN(Cc1ccccc1)C[C@H](O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C19H22N6O2/c1-24(11-14-5-3-2-4-6-14)12-17(26)13-25-22-19(21-23-25)16-9-7-15(8-10-16)18(20)27/h2-10,17,26H,11-13H2,1H3,(H2,20,27)/t17-/m0/s1
InChIKeyRHELTYQPQWKYCV-KRWDZBQOSA-N
MW366.43 g/mol
LogP0.93
Rot. Bonds8

About 4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide

4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide (PubChem CID 52503296) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide
PubChem CID52503296
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide
SMILESCN(Cc1ccccc1)C[C@H](O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C19H22N6O2/c1-24(11-14-5-3-2-4-6-14)12-17(26)13-25-22-19(21-23-25)16-9-7-15(8-10-16)18(20)27/h2-10,17,26H,11-13H2,1H3,(H2,20,27)/t17-/m0/s1
InChIKeyRHELTYQPQWKYCV-KRWDZBQOSA-N
XLogP0.93
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 56684959
4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 99704636
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 24654123
4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide
CID 94386508
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521
4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 30749496
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 42942047
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475591

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide (CID 52503296) is 4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide is CN(Cc1ccccc1)C[C@H](O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The InChIKey is RHELTYQPQWKYCV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-24(11-14-5-3-2-4-6-14)12-17(26)13-25-22-19(21-23-25)16-9-7-15(8-10-16)18(20)27/h2-10,17,26H,11-13H2,1H3,(H2,20,27)/t17-/m0/s1.
What are the key properties of 4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide?
4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide has a molecular weight of 366.43 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 52503296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).