N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C20H23N5O — CID 7465585

IUPACN-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCC[C@H](NC(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccc(C)cc1
InChIInChI=1S/C20H23N5O/c1-4-18(16-9-5-14(2)6-10-16)21-19(26)13-25-23-20(22-24-25)17-11-7-15(3)8-12-17/h5-12,18H,4,13H2,1-3H3,(H,21,26)/t18-/m0/s1
InChIKeyKJMUNKOIQJXUDV-SFHVURJKSA-N
MW349.44 g/mol
LogP3.22
Rot. Bonds6

About N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7465585) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID7465585
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCC[C@H](NC(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccc(C)cc1
InChIInChI=1S/C20H23N5O/c1-4-18(16-9-5-14(2)6-10-16)21-19(26)13-25-23-20(22-24-25)17-11-7-15(3)8-12-17/h5-12,18H,4,13H2,1-3H3,(H,21,26)/t18-/m0/s1
InChIKeyKJMUNKOIQJXUDV-SFHVURJKSA-N
XLogP3.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350149
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 4804867
N-ethyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 71944277
N-[(2S)-1-methoxypropan-2-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465632
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 16517224
ethyl (3R)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
CID 40774257
ethyl (3R)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-3-phenylpropanoate
CID 7330971
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825589
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46607871
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 7465585) is N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is CC[C@H](NC(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is KJMUNKOIQJXUDV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-18(16-9-5-14(2)6-10-16)21-19(26)13-25-23-20(22-24-25)17-11-7-15(3)8-12-17/h5-12,18H,4,13H2,1-3H3,(H,21,26)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7465585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).